2-[(Diphenylmethyl)thio]acetamide

C₁₅H₁₅NOSCAS 68524-30-1257.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₅NOS
Molar mass: 257.35 g/mol
Exact mass: 257.0874 Da
Melting point: 109–110 °C
logP: 4.04Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H400 Very toxic to aquatic life90.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

68524-30-1

SMILES

N=C(O)CSC(c1ccccc1)c1ccccc1

InChIKey

HCRQRIFRHGPWBH-UHFFFAOYSA-N

InChI

InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)

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Names and synonyms

4 names

Acetamide, 2-[(diphenylmethyl)thio]-
2-(Benzhydrylthio)acetamide
2-Benzhydrylsulfanylacetamide
Deoxy modafinil

Work with 2-[(Diphenylmethyl)thio]acetamide

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

2-[(Diphenylmethyl)thio]acetic acid63547-22-858 % similar Modafinil68693-11-847 % similar Benzeneacetamide103-81-147 % similar Phenoxyacetamide621-88-543 % similar Mandelamide4410-31-540 % similar Felbamate25451-15-439 % similar 2-Phenylbutanamide90-26-639 % similar D-Phenylglycine amide6485-67-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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