Densil P

C₁₆H₁₆N₂O₂S₂CAS 2527-58-4332.44 g/mol

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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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

Warning

H317 May cause an allergic skin reaction99% of notifiers
H400 Very toxic to aquatic life95.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects92.3% of notifiers
H411 Toxic to aquatic life with long lasting effects18.1% of notifiers

Aggregated from 626 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

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

4 names

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

Work with Densil P

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 2,2'-Dibenzoylaminodiphenyl disulfide135-57-944 % similar N′-Methylnicotinamide114-33-039 % 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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