Research chemical

1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1)

CAS Number: 5108-96-3

1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) molecular structure, CAS 5108-96-3 — Chemical structure

Product details

Identity & specification

Molecular formula: C5H12N2S2
Molecular weight: 164.3 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

73343

Exact Mass

164.044191

InChIKey

MDDIUTVUBYEEEM-UHFFFAOYSA-N

IUPAC Name

azane;pyrrolidine-1-carbodithioic acid

SMILES String

C1CCN(C1)C(=S)S.N

Physical Properties

Appearance

Powder; [Alfa Aesar MSDS]

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

9

H-bond acceptors

2

H-bond donors

3

Rotatable bonds

0

Ring count

1

Aromatic rings

0

Topological polar surface area

38.24 Å²

Computed LogP

1.46

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) (CAS 5108-96-3) is listed in the Inhibitors and Agonists portfolio, with molecular formula C5H12N2S2 and molecular weight 164. 30 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for biochemical and pharmacology research workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Warning; hazard codes: H315, H319; For research use only.

Applications & Classification

Bioactivity ScreeningResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: Replicase polyprotein 1ab (Severe acute respiratory syndrome coronavirus 2) — 2 assays; Prelamin-A/C (Homo sapiens) — 2 assays; Geminin (Homo sapiens) — 2 assays; Microtubule-associated protein tau (Homo sapiens) — 2 assays; Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Replicase polyprotein 1ab

Severe acute respiratory syndrome coronavirus 2 · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.68

Experimental evidence source: ChEMBL

Prelamin-A/C

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.3

Experimental evidence source: ChEMBL

Geminin

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.1

Experimental evidence source: ChEMBL

Microtubule-associated protein tau

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.5

Experimental evidence source: ChEMBL

Replicase polyprotein 1ab

Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

and reactivity.
Carbon monoxide, carbon dioxide, nitrogen oxides, sulfur oxides.

Disposal

Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
Contact a professional agency with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

Ammonium 1-pyrrolidinecarbodithioateAmmonium 1-pyrrolidinyldithiocarbamateAmmonium 1-pyrrolidinedithiocarboxylate1-Pyrrolidinecarbodithioic acid, ammonium saltAmmonium 1pyrrolidinecarbodithioate

Show all synonyms

Ammonium pyrrolidine1carbodithioateAmmonium 1pyrrolidinyldithiocarbamateAmmonium 1pyrrolidinedithiocarboxylateAmmonium pyrrolidine-1-carbodithioateAmmonium pyrrolidyldithiocarbamateAmmonium tetramethylenedithiocarbamatePyrrolidinedithiocarbamate (ammonium)1-Pyrrolidinecarbodithioic acid ammonium saltAmmonium pyrrolidine dithiocarbamatepyrrolidine dithiocarbamic acid, ammonium salts3633ammonia pyrrolidine-1-carbodithioic acidAmmonium pyrrolidinedithiocarbamate, ~99%pyrrolidine-1-carbodithioic acid, ammonia saltPyrrolidine-1-carbodithioic acid--ammonia (1/1)

External Identifiers

EC NUMBER: 225-834-4DSSTOX SUBSTANCE ID: DTXSID8063703CHEMBL ID: CHEMBL1449651CHEBI ID: CHEBI:234321

Experimental Spectrum References

1H NMR Spectra ATR-IR Spectra FTIR Spectra Raman Spectra

Literature & Patent References

DOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen DOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort DOI 10.1016/j.bmcl.2019.04.004Cynaropicrin and inhibition of NF-κB activation: A structure activity relationship study.PMID 30987894Cynaropicrin and inhibition of NF-κB activation: A structure activity relationship study.DOI 10.1021/np4005757Meroterpenoids with diverse ring systems from the sponge-associated fungus Alternaria sp. JJY-32.PMID 24128115Meroterpenoids with diverse ring systems from the sponge-associated fungus Alternaria sp. JJY-32.DOI 10.1016/j.bmcl.2012.03.044Pyronepolyene C-glucosides with NF-κB inhibitory and anti-influenza A viral (H1N1) activities from the sponge-associated fungus Epicoccum sp. JJY40.

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H315, H319

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P264, P280, P302+P352+P332+P313+P362+P364, P305+P351+P338+P337+P313

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Synthesis referencePyrrolidineView related compound →Synthesis referenceCarbon DisulfideView related compound →

Procurement notes

Sourcing context and documentation notes

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Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 5108-96-3 in stock?

1-Pyrrolidinecarbodithioic acid, ammonium salt (1:1) is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 5108-96-3?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.