Vitas-M small molecule compound

S-(4-chlorophenyl) 4-nitrobenzenecarbothioate

Catalog ID
STK796962
SMILES Clc1ccc(cc1)SC(=O)c1ccc(cc1)[N+](=O)[O-]

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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 C13H8ClNO3S MW 293.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8ClNO3S/c14-10-3-7-12(8-4-10)19-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H
InChIKey
USJXGYFYCHTTNC-UHFFFAOYSA-N
Synonyms
6631-86-3
4CHLOROPHENYLTHIO4NITROPHENYLKETONE
4NITROTHIOBENZOICACIDS(4CHLOROPHENYL)ESTER
6631863
BENZENECARBOTHIOICACID4NITROS(4CHLOROPHENYL)ESTER
C1=CC(=CC=C1C(=O)SC2=CC=C(C=C2)Cl)(N+)(=O)(O)
Clc1ccc(cc1)SC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H8ClNO3Sc14103712(8410)1913(16)91511(629)15(17)18h18H
MFCD01929032
S(4chlorophenyl)4nitrobenzenecarbothioate
ZINC000000132964
ZINC00132964
ZINC132964

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Available files

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