2,2'-Diaminodiphenyl sulfide

C₁₂H₁₂N₂SCAS 5873-51-8216.30 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
logP: 3.00Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

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

5873-51-8

SMILES

C1=CC=C(C(=C1)N)SC2=CC=CC=C2N

InChIKey

WRRQKFXVKRQPDB-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

2,2'-Diaminodiphenylsulfide

Work with 2,2'-Diaminodiphenyl sulfide

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-(Phenylthio)aniline1134-94-773 % similar Bis(2-aminophenyl) disulfide1141-88-470 % similar Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)6764-13-264 % similar 2-(Methylthio)aniline2987-53-361 % similar 2-[(4-Chlorophenyl)thio]benzenamine37750-29-159 % similar 2-Amino-2'-nitro diphenyl sulfide19284-81-257 % similar Thianthrene92-85-356 % similar O-Phenylenediamine95-54-556 % similar

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

Same formula

4,4′-Thiodianiline139-65-1 4-(Phenylthio)-1,2-benzenediamine43156-48-5

Elsewhere

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