chempirical

N1,N2-Bis(phenylmethyl)ethanedithioamide

C16H16N2S2CAS 122-65-6300.44 g/mol

Open in Covalent MOL file
SNHSNH

Properties

Molecular formula
C16H16N2S2
Molar mass
300.44 g/mol
Exact mass
300.0755 Da
Melting point
120 °C
logP
3.22Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
122-65-6
SMILES
S=C(NCc1ccccc1)C(=S)NCc1ccccc1
InChIKey
KNRMURHAZMNRGD-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N2S2/c19-15(17-11-13-7-3-1-4-8-13)16(20)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)

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Names and synonyms

8 names
  • Ethanedithioamide, N1,N2-bis(phenylmethyl)-
  • Oxamide, N,N′-dibenzyldithio-
  • Ethanedithioamide, N,N′-bis(phenylmethyl)-
  • N,N′-Dibenzyldithiooxamide
  • Dibenzylrubeanic acid
  • Dibenzylhydrorubeanic acid
  • N,N′-Dibenzyldithioxamide
  • NSC 44704

Work with N1,N2-Bis(phenylmethyl)ethanedithioamide

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

Benzylurea538-32-952 % similar Dibenzylamine103-49-150 % similar N-(Phenylmethyl)thiourea621-83-050 % similar Benzathine140-28-346 % similar 1-Benzyl-3-methyl-2-thiourea2740-94-545 % similar Benzylaniline103-32-244 % similar N-Methylbenzylamine103-67-344 % similar (Phenylmethyl)hydrazine555-96-444 % similar

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

Elsewhere

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