1,2,4,5-Tetrakis(tert-butylthio)benzene

C₂₂H₃₈S₄CAS 447463-65-2430.79 g/mol

Open in Covalent MOL file

Sulfide

Properties

Molecular formula: C₂₂H₃₈S₄
Molar mass: 430.79 g/mol
Exact mass: 430.1856 Da
logP: 9.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

447463-65-2

SMILES

CC(C)(C)SC1=CC(=C(C=C1SC(C)(C)C)SC(C)(C)C)SC(C)(C)C

InChIKey

LOCUYYPERSWXJI-UHFFFAOYSA-N

InChI

InChI=1S/C22H38S4/c1-19(2,3)23-15-13-17(25-21(7,8)9)18(26-22(10,11)12)14-16(15)24-20(4,5)6/h13-14H,1-12H3

Weigh it out

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

Work with 1,2,4,5-Tetrakis(tert-butylthio)benzene

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-(tert-Butylthio)benzaldehyde65924-65-441 % similar tert-Butyl sulfide107-47-133 % similar tert-Butyl disulfide110-06-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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