chempirical

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

C22H38S4CAS 447463-65-2430.79 g/mol

Open in Covalent MOL file
SSSS
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 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

PubChem CAS Common Chemistry NIST WebBook