Benzoyl disulfide

C₁₄H₁₀O₂S₂CAS 644-32-6274.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀O₂S₂
Molar mass: 274.35 g/mol
Exact mass: 274.0122 Da
logP: 4.05Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

644-32-6

SMILES

C1=CC=C(C=C1)C(=O)SSC(=O)C2=CC=CC=C2

InChIKey

YYWLHHUMIIIZDH-UHFFFAOYSA-N

InChI

InChI=1S/C14H10O2S2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

Weigh it out

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

Names and synonyms

12 names

S-Benzoylsulfanyl benzenecarbothioate
Dibenzoyl disulfide
Dibenzoyl disulphide
Disulfide, dibenzoyl
Bensulfenum
Benthiolan
Septiolan
Thiocutol
Benzoic dithioperoxyanhydride
Benzenecarbothioic acid S-(benzoylthio) ester
(Benzoyldisulfanyl)(phenyl)methanone
Dibenzoyl persulfide

Reactions

Benzoyl disulfideproduct

Work with Benzoyl disulfide

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

Benzophenone119-61-950 % similar Benzil134-81-650 % similar 1,4-Dibenzoylbenzene3016-97-548 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-148 % similar Benzoyl bromide618-32-646 % similar 1,2-Dibenzoylbenzene1159-86-044 % similar Dibenzoylmethane120-46-744 % similar 1,3,5-Tribenzoylbenzene25871-69-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook