2-(4-Cyano-benzylsulfanyl)benzoic acid

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Catalog Number

ACM100961522

Product Name

Structure

CAS

100961-52-2

Category

Heterocyclic Organic Compound

Synonyms

ZINC03316900, CID2432645, 100961-52-2

IUPAC Name

2-[(4-cyanophenyl)methylsulfanyl]benzoate

Molecular Weight

269.32

Molecular Formula

C₁₅H₁₁NO₂S

Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)C#N

InChI Key

NCFIAZPXLCPUKJ-UHFFFAOYSA-M

Boiling Point

478.6ºC at 760mmHg

Flash Point

243.2ºC

Exact Mass

269.05100

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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