2-Methyl-4,6-bis(methylthio)-1,3-benzenediamine

C₉H₁₄N₂S₂CAS 104983-85-9214.34 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₉H₁₄N₂S₂
Molar mass: 214.34 g/mol
Exact mass: 214.0598 Da
logP: 2.60Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

104983-85-9

SMILES

CSc1cc(SC)c(N)c(C)c1N

InChIKey

TXDBDYPHJXUHEO-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2S2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,10-11H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)-
3,5-Bis(methylthio)-2,6-toluenediamine
3,5-Dimethylthio-2,6-toluenediamine
2-Methyl-4,6-di(methylthio)-1,3-benzenediamine
3,5-Dimethylthio-2,6-diaminotoluene
2-Methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine

Work with 2-Methyl-4,6-bis(methylthio)-1,3-benzenediamine

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

2,4,6-Trimethyl-1,3-phenylenediamine3102-70-346 % similar 1-Chloro-2-methyl-3-(methylthio)benzene82961-52-242 % similar 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-239 % similar 2-(Methylthio)aniline2987-53-337 % similar 4-Iodo-2,6-dimethylbenzenamine4102-53-834 % similar 3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid32432-55-633 % similar 3-Methyl-4-(methylthio)phenol3120-74-932 % similar 3,3',5,5'-Tetramethylbenzidine54827-17-732 % similar

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

Same formula

Dimethylthiotoluenediamine106264-79-3

Elsewhere

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