Chem
J-GLOBAL ID：200907002226850948   Nikkaji number：J25.690K

2-(Benzothiazol-2-ylthio)-2-(2-pentynyl)cyclopentanone

2-(ベンゾチアゾール-2-イルチオ)-2-(2-ペンチニル)シクロペンタノン
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： C17H17NOS2
Molecular formula furigana： C17-H17-N-O-S2
Molecular weight： 315.450
InChI： InChI=1S/C17H17NOS2/c1-2-3-6-11-17(12-7-10-15(17)19)21-16-18-13-8-4-5-9-14(13)20-16/h4-5,8-9H,2,7,10-12H2,1H3
InChI key： ZMNZCDHFFYFQGC-UHFFFAOYSA-N
SMILES： CCC#CCC1(CCCC1=O)Sc1nc2ccccc2s1
Systematic name  (3)：
  • 2-(ベンゾチアゾール-2-イルチオ)-2-(2-ペンチニル)シクロペンタノン
  • 2-(1,3-ベンゾチアゾール-2-イルスルファニル)-2-(ペンタ-2-イン-1-イル)シクロペンタン-1-オン
  • 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(pent-2-yn-1-yl)cyclopentan-1-one
Other name (1)：
  • 2-(Benzothiazol-2-ylthio)-2-(2-pentynyl)cyclopentanone
CAS registry number： 68898-27-1
Regulation number (1)：
  • 8-(7)-336
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