chempirical

2-[(Diphenylmethyl)thio]acetic acid

C15H14O2SCAS 63547-22-8258.34 g/mol

Open in Covalent MOL file
OOHS
Carboxylic acidSulfide

Properties

Molecular formula
C15H14O2S
Molar mass
258.34 g/mol
Exact mass
258.0715 Da
Melting point
127 °C
logP
3.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
63547-22-8
SMILES
O=C(O)CSC(c1ccccc1)c1ccccc1
InChIKey
HTHFEDOFDBZPRX-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2S/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)

Weigh it out

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

Names and synonyms

7 names
  • Acetic acid, 2-[(diphenylmethyl)thio]-
  • Acetic acid, [(diphenylmethyl)thio]-
  • (Benzhydrylthio)acetic acid
  • 2-(Benzhydrylthio)acetic acid
  • (Benzhydrylsulfanyl)acetic acid
  • 2-Benzhydrylsulfanylacetic acid
  • 2-[(Diphenylmethyl)sulfanyl]acetic acid

Work with 2-[(Diphenylmethyl)thio]acetic 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

Similar compounds

(Phenylthio)acetic acid103-04-858 % similar 2-[(Diphenylmethyl)thio]acetamide68524-30-158 % similar 3-Phenylglutaric acid4165-96-256 % similar Diphenylpropionic acid606-83-756 % similar 2-[(Phenylmethyl)thio]acetic acid103-46-853 % similar 3-Phenylbutyric acid4593-90-253 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-951 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-851 % similar

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

Elsewhere

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