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

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-113-00-8), via PubChem.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501

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

7 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
Dimethylthiotoluenediamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dimethylthiotoluenediamine106264-79-3

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 3-Bromo-2,4,6-trimethylaniline82842-52-238 % 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-Amino-4-(methylthio)benzotrifluoride207974-07-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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