Vitas-M small molecule compound

4-[(phenylsulfanyl)methyl]benzoic acid

Catalog ID
STL285244
SMILES OC(=O)c1ccc(cc1)CSc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C14H12O2S MW 244.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12O2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
InChIKey
PPCGTVWKHISHFJ-UHFFFAOYSA-N
Synonyms
88382-49-4
4((phenylsulfanyl)methyl)benzoicacid
4((PHENYLTHIO)METHYL)BENZOICACID
4(PHENYLSULFANYLMETHYL)BENZOICACID
4(PHENYLTHIOMETHYL)BENZOICACID
4PHENYLSULFANYLMETHYLBENZOICACID
88382494
BENZOICACID4((PHENYLTHIO)METHYL)
C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)O
InChI=1SC14H12O2Sc1514(16)128611(7912)1017134213513h19H10H2(H1516)
MFCD03991405
ZINC000000444231
ZINC444231

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.