chempirical

Methyl 2-(phenylthio)acetate

C9H10O2SCAS 17277-58-6182.24 g/mol

Open in Covalent MOL file
OOS
EsterSulfide

Properties

Molecular formula
C9H10O2S
Molar mass
182.24 g/mol
Exact mass
182.0402 Da
Density
1.1728 g/mL (at 25 °C)
Boiling point
262–263 °C
logP
1.95Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
17277-58-6
SMILES
COC(=O)CSc1ccccc1
InChIKey
MUNSXQQODXYRKI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 2-(phenylthio)-, methyl ester
  • Acetic acid, (phenylthio)-, methyl ester
  • Methyl (phenylthio)acetate
  • Methyl α-(phenylthio)acetate
  • Methyl thiophenoxyacetate
  • Methyl phenylsulfenylacetate
  • NSC 620044
  • (Phenylthio)acetic acid methyl ester

Work with Methyl 2-(phenylthio)acetate

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

Same formula

2-[(Phenylmethyl)thio]acetic acid103-46-8 4-(Methylthio)benzeneacetic acid16188-55-9 (2-Propen-1-ylsulfonyl)benzene16212-05-8 o-(Methylthio)benzoic acid methyl ester3704-28-7 4,5,6,7-Tetrahydrobenzo[B]thiophene-2-carboxylic acid40133-07-1

Elsewhere

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