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3-([(4-Chlorophenyl)sulfonyl]methyl)-2-thiophenecarbothioamide
SpectraBase Compound ID Lk3DaECSTvw
InChI InChI=1S/C12H10ClNO2S3/c13-9-1-3-10(4-2-9)19(15,16)7-8-5-6-18-11(8)12(14)17/h1-6H,7H2,(H2,14,17)
InChIKey OPYFPTKCGROBSE-UHFFFAOYSA-N
Mol Weight 331.85 g/mol
Molecular Formula C12H10ClNO2S3
Exact Mass 330.95622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGGtzGcwBWD
Name 3-([(4-Chlorophenyl)sulfonyl]methyl)-2-thiophenecarbothioamide
Alternate Name(s) 3-[(4-chlorophenyl)sulfonylmethyl]thiophene-2-carbothioamide Thiophene-2-carbothioamide, 3-(4-chlorophenylsulfonylmethyl)-
CAS Registry Number 254982-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClNO2S3
InChI InChI=1S/C12H10ClNO2S3/c13-9-1-3-10(4-2-9)19(15,16)7-8-5-6-18-11(8)12(14)17/h1-6H,7H2,(H2,14,17)
InChIKey OPYFPTKCGROBSE-UHFFFAOYSA-N
Molecular Weight 331.850 g/mol
SMILES NC(c1c(CS(c2ccc(cc2)Cl)(=O)=O)ccs1)=S
SPLASH splash10-05fr-4900000000-758bbe8302513a97c699
Source of Spectrum AD-0-2532-0
Wiley ID 1427534