CAS No.850852-66-3,5-Aminomethyl-4-methyl-thiazol-2-ylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850852-66-3
Name:	5-Aminomethyl-4-methyl-thiazol-2-ylamine

Formula:	C₅H₉N₃S
Molecular Weight:	143.21006
Synonyms:	5-Aminomethyl-4-methyl-thiazol-2-ylamine;2-Amino-5-(Aminomethyl)-4-Methylthiazole;
Density:	1.293 g/cm³
Boiling Point:	319.3 °C at 760 mmHg
Flash Point:	146.9 °C
PSA:	93.17000
LogP:	1.77390

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Specification

The IUPAC name of 5-Thiazolemethanamine,2-amino-4-methyl- is 5-(aminomethyl)-4-methyl-1,3-thiazol-2-amine. With the CAS registry number 850852-66-3, it is also named as 2-Amino-5-(Aminomethyl)-4-Methylthiazole. The product's category is Thiazole. In addition, its molecular formula is C₅H₉N₃S and its molecular weight is 143.21006.

The other characteristics of 5-Thiazolemethanamine,2-amino-4-methyl- can be summarized as: (1)#H bond acceptors: 3; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)XLogP3-AA: -0.1; (5)Rotatable Bond Count: 1; (6)Tautomer Count: 2; (7)Exact Mass: 143.051718; (8)MonoIsotopic Mass: 143.051718; (9)Topological Polar Surface Area: 93.2; (10)Heavy Atom Count: 9; (11)Complexity: 98.2; (12)Polar Surface Area: 93.17 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 40.24 cm³; (15)Molar Volume: 110.6 cm³; (16)Polarizability: 15.95×10^-24cm³; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 146.9 °C; (20)Enthalpy of Vaporization: 56.09 kJ/mol; (21)Boiling Point: 319.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000341 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: NCc1sc(N)nc1C
(2)InChI: InChI=1/C5H9N3S/c1-3-4(2-6)9-5(7)8-3/h2,6H2,1H3,(H2,7,8)
(3)InChIKey: JQDANESPYFQIBF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H9N3S/c1-3-4(2-6)9-5(7)8-3/h2,6H2,1H3,(H2,7,8)
(5)Std. InChIKey: JQDANESPYFQIBF-UHFFFAOYSA-N