| Identification | |
| Name: | 1,3-Benzenediamine,2-methyl-4,6-bis(methylthio)- |
| Synonyms: | 2-Methyl-4,6-di(methylthio)-1,3-benzenediamine;3,5-Bis(methylthio)-2,6-toluenediamine;3,5-Dimethylthio-2,6-toluenediamine; |
| CAS: | 104983-85-9 |
| Molecular Formula: | C9H14N2S2 |
| Molecular Weight: | 214.35 |
| InChI: | InChI=1/C9H14N2S2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,10-11H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Transport: | 2810 |
| Flash Point: | 163.4°C |
| Boiling Point: | 346.5°Cat760mmHg |
| Density: | 1.23g/cm3 |
| Refractive index: | 1.658 |
| Specification: |
The 3,5-Dimethylthio-2,6-diaminotoluene with cas registry number of 104983-85-9,its system generated number is 0104983859. Its IUPAC name is N-(4-bromophenyl)-2,6-dihydroxybenzamide. And its systematic name is 1,3-Benzenediamine, 2-methyl-4,6-bis(methylthio)-. Physical properties about this chemical are: (1)XLogP3-AA: 3.3; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 12; (6)Exact Mass: 306.984406; (7)MonoIsotopic Mass: 306.984406; (8)Topological Polar Surface Area: 69.6; (9)Heavy Atom Count: 18; (10)Formal Charge: 0; (11)Complexity: 282; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1. You can still convert the following datas into molecular structure: (1)SMILES:S(c1cc(SC)c(c(c1N)C)N)C; (2)InChI:InChI=1/C9H14N2S2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,10-11H2,1-3H3; (3)InChIKey:TXDBDYPHJXUHEO-UHFFFAOYAP; (4)Std. InChI:InChI=1S/C9H14N2S2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,10-11H2,1-3H3; (5)Std. InChIKey:TXDBDYPHJXUHEO-UHFFFAOYSA-N. |
| Packinggroup: | III |
| Flash Point: | 163.4°C |
| Safety Data | |
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