Chem
J-GLOBAL ID：201407022345287110   Nikkaji number：J3.303.253F

2-[[[1-Tosyl-4-[(phenylthio)methyl]-1H-pyrrole-3-yl]methyl]amino]ethanethiol

2-[[[1-トシル-4-[(フェニルチオ)メチル]-1H-ピロール-3-イル]メチル]アミノ]エタンチオール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H24N2O2S3
Molecular formula furigana： C21-H24-N2-O2-S3
Molecular weight： 432.620
InChI： InChI=1S/C21H24N2O2S3/c1-17-7-9-21(10-8-17)28(24,25)23-14-18(13-22-11-12-26)19(15-23)16-27-20-5-3-2-4-6-20/h2-10,14-15,22,26H,11-13,16H2,1H3
InChI key： YAHVOAOFWQHQSN-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)(=O)n1cc(CNCCS)c(CSc2ccccc2)c1
Systematic name  (3)：
  • 2-[[[1-トシル-4-[(フェニルチオ)メチル]-1H-ピロール-3-イル]メチル]アミノ]エタンチオール
  • 2-({[1-(4-メチルベンゼンスルホニル)-4-[(フェニルスルファニル)メチル]-1H-ピロール-3-イル]メチル}アミノ)エタン-1-チオール
  • 2-({[1-(4-methylbenzenesulfonyl)-4-[(phenylsulfanyl)methyl]-1H-pyrrol-3-yl]methyl}amino)ethane-1-thiol
Other name (1)：
  • 2-[[[1-Tosyl-4-[(phenylthio)methyl]-1H-pyrrole-3-yl]methyl]amino]ethanethiol
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