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1076197-50-6

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Basic Information
CAS No.: 1076197-50-6
Name: 4-Methyl-thiazole-2, 5-diamine
Molecular Structure:
Molecular Structure of 1076197-50-6 (4-Methyl-thiazole-2, 5-diamine)
Formula: C4H7N3S
Molecular Weight: 129.1835
Synonyms: 2,5-Thiazolediamine, 4-methyl-;
Density: 1.389 g/cm3
Boiling Point: 332.5 °C at 760 mmHg
Flash Point: 154.9 °C
PSA: 93.90000
LogP: 1.12720
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Specification

The 4-Methylthiazole-2,5-diamine, with the CAS registry number 1076197-50-6, is also known as 2,5-Thiazolediamine, 4-methyl-. This chemical's molecular formula is C4H7N3S and molecular weight is 129.1835. 

Physical properties about 4-Methylthiazole-2,5-diamine are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 11.74; (6)#H bond acceptors: 3; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 93.17 Å2; (10)Index of Refraction: 1.702; (11)Molar Refractivity: 36.02 cm3; (12)Molar Volume: 92.9 cm3; (13)Polarizability: 14.28×10-24cm3; (14)Surface Tension: 75.3 dyne/cm; (15)Density: 1.389 g/cm3; (16)Flash Point: 154.9 °C; (17)Enthalpy of Vaporization: 57.53 kJ/mol; (18)Boiling Point: 332.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000145 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1sc(N)nc1C
(2) InChI: InChI=1/C4H7N3S/c1-2-3(5)8-4(6)7-2/h5H2,1H3,(H2,6,7)
(3) InChIKey: LOKDVMWTEJZRAV-UHFFFAOYAX