4,4'-Thiodibenzenethiol

C₁₂H₁₀S₃CAS 19362-77-7250.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀S₃
Molar mass: 250.39 g/mol
Exact mass: 249.9945 Da
logP: 4.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

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