chempirical

4-(Methylthio)benzeneacetic acid

C9H10O2SCAS 16188-55-9182.24 g/mol

Open in Covalent MOL file
SOOH
AlcoholCarboxylic AcidSulfide

Properties

Molecular formula
C9H10O2S
Molar mass
182.24 g/mol
Exact mass
182.0402 Da
Melting point
92–94 °C
logP
2.04Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
16188-55-9
SMILES
CSc1ccc(CC(=O)O)cc1
InChIKey
AHMLFHMRRBJCRM-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetic acid, 4-(methylthio)-
  • Acetic acid, [p-(methylthio)phenyl]-
  • 4-(Methylthio)phenylacetic acid
  • [p-(Methylthio)phenyl]acetic acid
  • 2-[4-(Methylthio)phenyl]acetic acid
  • (4-Methylsulfanylphenyl)acetic acid
  • 2-(4-Methylsulfanylphenyl)acetic acid
  • 2-[4-(Methylsulfanyl)phenyl]acetic acid

Work with 4-(Methylthio)benzeneacetic acid

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 Isotope patternExact mass and the mass spectrum pattern

Same formula

2-[(Phenylmethyl)thio]acetic acid103-46-8 (2-Propen-1-ylsulfonyl)benzene16212-05-8 Methyl 2-(phenylthio)acetate17277-58-6 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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