2-Phenyl-2-propyl benzodithioate

C₁₆H₁₆S₂CAS 201611-77-0272.42 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₆S₂
Molar mass: 272.42 g/mol
Exact mass: 272.0693 Da
logP: 5.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H400 Very toxic to aquatic life97.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.6% of notifiers

Aggregated from 41 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

201611-77-0

SMILES

CC(C)(C1=CC=CC=C1)SC(=S)C2=CC=CC=C2

InChIKey

KOBJYYDWSKDEGY-UHFFFAOYSA-N

InChI

InChI=1S/C16H16S2/c1-16(2,14-11-7-4-8-12-14)18-15(17)13-9-5-3-6-10-13/h3-12H,1-2H3

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Names and synonyms

1 names

Cumyl dithiobenzoate

Work with 2-Phenyl-2-propyl benzodithioate

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-Cyanopropan-2-yl benzodithioate201611-85-054 % similar 4-Cyano-4-(thiobenzoylthio)pentanoic acid201611-92-940 % similar Thiobenzophenone1450-31-337 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-437 % similar Dimethyldiphenylmethane778-22-337 % similar tert-Butylbenzene98-06-637 % similar 2,4-Diphenyl-4-methyl-1-pentene6362-80-736 % similar N-tert-Butylbenzamide5894-65-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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