chempirical

Densil P

C16H16N2O2S2CAS 2527-58-4332.44 g/mol

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NHOSSONH
Disulfide

Properties

Molecular formula
C16H16N2O2S2
Molar mass
332.44 g/mol
Exact mass
332.0653 Da
Melting point
216.5 °C
logP
4.35Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
2527-58-4
SMILES
CN=C(O)c1ccccc1SSc1ccccc1C(O)=NC
InChIKey
JEVCLNJEBFWVPD-UHFFFAOYSA-N
InChI
InChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)

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Names and synonyms

3 names
  • Benzamide, 2,2′-dithiobis[N-methyl-
  • 2,2′-Dithiobis[N-methylbenzamide]
  • Dithio-2,2′-bis(N-methylbenzamide)

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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

N-Methylbenzamide613-93-452 % similar Dibenzo[B,F][1,4]thiazepin-11(10H)-one3159-07-749 % similar 2,2′-Dithiodibenzoic acid119-80-248 % similar N,N′-(Dithiodi-2,1-phenylene)bis[benzamide]135-57-944 % similar Nicotinyl methylamide114-33-039 % similar Axitinib319460-85-039 % similar Dibenzoylhydrazine787-84-838 % similar Phthalimide85-41-637 % similar

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

Elsewhere

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