4,4′-Thiodianiline

C₁₂H₁₂N₂SCAS 139-65-1216.30 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₁₂H₁₂N₂S
Molar mass: 216.30 g/mol
Exact mass: 216.0721 Da
Melting point: 108–109 °C
Boiling point: 361 °C
Water solubility: < 100 mg/L (20 °C)
logP: 3.00Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H350 May cause cancerCarcinogenicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-198-00-1), via PubChem.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

139-65-1

SMILES

Nc1ccc(Sc2ccc(N)cc2)cc1

InChIKey

ICNFHJVPAJKPHW-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2

Weigh it out

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

Names and synonyms

19 names · show all

4,4'-Thiodianiline
Benzenamine, 4,4′-thiobis-
Aniline, 4,4′-thiodi-
4,4′-Thiobis[benzenamine]
Bis(4-aminophenyl) sulfide
p,p′-Diaminodiphenyl sulfide
4,4′-Diaminodiphenyl sulfide
Di(p-aminophenyl) sulfide
p,p-Thiodianiline
Thioaniline
Thiodi-p-phenylenediamine
4,4′-Diaminophenyl sulfide
4,4′-Thiobis[aniline]
4-(Aminophenylthio)phenylamine
NSC 6191
BAPS
4,4′-Diaminodiphenyl thioether
p-Aminodiphenyl sulfide
[4-[(4-Aminophenyl)thio]phenyl]amine

Work with 4,4′-Thiodianiline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Aminophenyl disulfide722-27-067 % similar P-Phenylenediamine106-50-360 % similar 4-(Methylthio)aniline104-96-157 % similar 4-[(4-Nitrophenyl)thio]benzenamine101-59-756 % similar [(4-Aminophenyl)sulfanyl]formonitrile2987-46-450 % similar 4,4''-Diaminoterphenyl3365-85-350 % similar 4-[(Trifluoromethyl)thio]benzenamine372-16-750 % similar 1,4-Diaminobenzene dihydrochloride624-18-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Phenylthio)-1,2-benzenediamine43156-48-5 2,2'-Diaminodiphenyl sulfide5873-51-8

Elsewhere

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