chempirical

Phenyl thioacetate

C8H8OSCAS 934-87-2152.21 g/mol

Open in Covalent MOL file
OS
Sulfide

Properties

Molecular formula
C8H8OS
Molar mass
152.21 g/mol
Exact mass
152.0296 Da
Melting point
18–19 °C
Boiling point
99–100 °C
logP
2.33Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
934-87-2
SMILES
CC(=O)Sc1ccccc1
InChIKey
WBISVCLTLBMTDS-UHFFFAOYSA-N
InChI
InChI=1S/C8H8OS/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Ethanethioic acid, S-phenyl ester
  • Acetic acid, thio-, S-phenyl ester
  • Benzenethiol, acetate
  • Phenyl thiolacetate
  • Thiophenyl acetate
  • S-Phenyl thioacetate
  • S-Phenyl ethanethioate
  • 1-(Phenylsulfanyl)ethan-1-one

Work with Phenyl thioacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[4-(Phenylthio)phenyl]ethanone10169-55-844 % similar 3-(Acetylthio)-2-methylfuran55764-25-541 % similar Acetophenone98-86-239 % similar Thioanisole100-68-538 % similar (Phenylthio)acetic acid103-04-838 % similar Diphenyl disulfide882-33-738 % similar Methyl 2-(phenylthio)acetate17277-58-637 % similar Furfurylthiol acetate13678-68-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6,7-Dihydrobenzo[B]thiophen-4(5H)-one13414-95-4 4-(Methylthio)benzaldehyde3446-89-7 Cyclopropyl-2-thienylmethanone6193-47-1 4-(2-Thienyl)-3-buten-2-one874-83-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook