chempirical

4,4'-Thiodibenzenethiol

C12H10S3CAS 19362-77-7250.39 g/mol

Open in Covalent MOL file
HSSSH
SulfideThiol

Properties

Molecular formula
C12H10S3
Molar mass
250.39 g/mol
Exact mass
249.9945 Da
logP
4.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
19362-77-7
SMILES
C1=CC(=CC=C1S)SC2=CC=C(C=C2)S
InChIKey
JLLMOYPIVVKFHY-UHFFFAOYSA-N
InChI
InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

Weigh it out

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

Names and synonyms

1 names
  • 4,4'-Thiobisbenzenethiol

Work with 4,4'-Thiodibenzenethiol

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

1,4-Benzenedithiol624-39-560 % similar 4-(Methylthio)benzenethiol1122-97-057 % similar 4-Methylbenzenethiol106-45-643 % similar 4-Bromothiophenol106-53-643 % similar 4-Chlorobenzenethiol106-54-743 % similar 4-Aminothiophenol1193-02-843 % similar 4,4′-Thiodianiline139-65-143 % similar 4,4′-Thiodiphenol2664-63-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook