Chem
J-GLOBAL ID:201807019990785387   Nikkaji number:J3.718.722D

Thioacetic acid S-[5-(4-methylphenyl)tetrahydrothiophene-3-yl] ester

チオ酢酸S-[5-(4-メチルフェニル)テトラヒドロチオフェン-3-イル]
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: C13H16OS2
Molecular formula furigana: C13-H16-O-S2
Molecular weight: 252.390
InChI: InChI=1S/C13H16OS2/c1-9-3-5-11(6-4-9)13-7-12(8-15-13)16-10(2)14/h3-6,12-13H,7-8H2,1-2H3
InChI key: VQJNNVRFVYSVLJ-UHFFFAOYSA-N
SMILES: CC(=O)SC1CSC(C1)c1ccc(C)cc1
Systematic name  (3):
  • チオ酢酸S-[5-(4-メチルフェニル)テトラヒドロチオフェン-3-イル]
  • 1-{[5-(4-メチルフェニル)チオラン-3-イル]スルファニル}エタン-1-オン
  • 1-{[5-(4-methylphenyl)thiolan-3-yl]sulfanyl}ethan-1-one
Other name (1):
  • Thioacetic acid S-[5-(4-methylphenyl)tetrahydrothiophene-3-yl] ester
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