Research chemical

2-(Cyanosulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one

CAS Number: 101714-41-4

Product details

Identity & specification

Molecular formula: C9H7NO3S
Molecular weight: 209.22 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

16656807

Exact Mass

209.014664

InChIKey

SVFLBLCWKKQKDW-UHFFFAOYSA-N

IUPAC Name

[2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate

SMILES String

N#CSCC(=O)c1ccc(O)c(O)c1

Physical Properties

No physical property values available.

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XLogP

1.6

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

81.32 Å²

Computed LogP

1.49

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

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

2-(Cyanosulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one (CAS 101714-41-4) is listed in the Research Chemicals portfolio, with molecular formula C9H7NO3S and molecular weight 209. 22 g/mol.

Sourcing context

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

Research use context

Intended for laboratory research workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Warning; hazard codes: H317; For research use only.

Applications & Classification

Organic Building Blocks Synthetic Chemistry Heterocyclic Building Blocks Research Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

and reactive.
carbon monoxide , carbon dioxide , nitrogen oxides , sulfur oxides.

Disposal

The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
Contact a professional institution with a waste disposal license to handle this substance.

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Fire Fighting

Wear a self-contained breathing apparatus in firefighting situations.

Accidental Release

Use personal protective equipment.
Avoid dust generation.

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

BiP inducer X2-(3,4-dihydroxyphenyl)-2-oxoethyl thiocyanateBIXThiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone

Show all synonyms

BIX, >=98% (HPLC)1-(3,4-dihydroxyphenyl)-2-thiocyanato-ethanone[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl] thiocyanate

External Identifiers

PUBCHEM CID: 16656807

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H317

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

Precautionary statements: P261, P272, P280, P302+P352, P333+P313, P363, P501

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.

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 101714-41-4 in stock?

2-(Cyanosulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one 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 101714-41-4?

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