Research chemical

N-butylphosphorothioic triamide

CAS Number: 94317-64-3

Product details

Identity & specification

Molecular formula: C4H14N3PS
Molecular weight: 167.22 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

93502

Exact Mass

167.064606

InChIKey

HEPPIYNOUFWEPP-UHFFFAOYSA-N

IUPAC Name

N-diaminophosphinothioylbutan-1-amine

SMILES String

CCCCNP(=S)(N)N

Physical Properties

Appearance

Large Crystals; Dry Powder; Liquid

Show more physical data

XLogP

0.6

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

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

64.07 Å²

Computed LogP

0.52

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

phosphine ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

Yes

N-heterocycle motif

Boronic acid motif

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

N-butylphosphorothioic triamide (CAS 94317-64-3) is listed in the Advanced Chemicals portfolio, with molecular formula C4H14N3PS and molecular weight 167. 22 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

SDS signal word: Danger; hazard codes: H318, H361; For research use only.

Applications & Classification

Synthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

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

Reactivity and reaction.
Carbon monoxide, carbon dioxide, nitrogen oxides, phosphorus oxides, sulfur oxides.

Disposal

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

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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

N-(N-Butyl)thiophosphoric triamideAgrotainPhosphorothioic triamide, butyl-Phosphorothioic triamide, N-butyl-n-(n-butyl) thiophosphoric triamide

Show all synonyms

N-BUTYLPHOSPHOROTHIOIC TRIAMIDE [MI]NBPT cpdN-butyl-phosphorotriamiden-butylthiophosphoric triamideN-(n-Butyl)thiophosphorictriamideNBPTN-(n-butyl)thiophosphoramidebutyl[diamino(sulfanylidene)-lambda5-phosphanyl]amineN-Butyl-phosphorothioic triamidediamino(butylamino)phosphino-1-thioneB5873

External Identifiers

EC NUMBER: 435-740-7EC NUMBER: 619-010-7DSSTOX SUBSTANCE ID: DTXSID4044747CHEMBL ID: CHEMBL3186430UNII: A6103OK7GFWIKIDATA ID: Q27273672

Documentation & Compliance Facts

Compliance Facts

Signal word: Danger

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H318, H361

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

Precautionary statements: P501, P202, P201, P280, P308+P313, P305+P351+P338+P310

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 referenceButylamineView related compound →Synthesis referenceAmmonium ChlorideView related compound →

Procurement notes

Sourcing context and documentation notes

Show details

MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.

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 94317-64-3 in stock?

N-butylphosphorothioic triamide 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 94317-64-3?

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