Chem
J-GLOBAL ID：200907070829520794   Nikkaji number：J6.990F

Benzoyl isothiocyanate

ベンゾイルイソチオシアナート
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： C8H5NOS
Molecular formula furigana： C8-H5-N-O-S
Molecular weight： 163.190
InChI： InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChI key： CPEKAXYCDKETEN-UHFFFAOYSA-N
SMILES： O=C(N=C=S)c1ccccc1
Systematic name  (3)：
  • ベンゾイルイソチオシアナート
  • ベンゾイル イソチオシアナート
  • benzoyl isothiocyanate
Other name (3)：
  • ベンゾイルチオカルボイミド
  • Benzoylthiocarbimide
  • Benzoyl isothiocyanate
CAS registry number： 532-55-8
Regulation number (3)：
  • 4-(10)-91
  • 4-(10)-583
  • EINECS2085400
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