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20812-13-9

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Basic Information
CAS No.: 20812-13-9
Name: 2-AMINO-5-METHYLSULFONYLTHIAZOLE
Molecular Structure:
Molecular Structure of 20812-13-9 (2-AMINO-5-METHYLSULFONYLTHIAZOLE)
Formula: C4H6N2O2S2
Molecular Weight: 178.236
Synonyms: Thiazole, 2-amino-5-(methylsulfonyl)-(6CI,8CI);2-Amino-5-methylsulfonylthiazole;5-(Methylsulfonyl)thiazol-2-ylamine;
Density: 1.533g/cm3
Melting Point: 176-178℃ (ethanol )
Boiling Point: 446.7 °C at 760 mmHg
Flash Point: 224 °C
PSA: 109.67000
LogP: 1.79080
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Specification

The 2-Thiazolamine,5-(methylsulfonyl)-, with CAS registry number 20812-13-9, has the systematic name of 5-(methylsulfonyl)-1,3-thiazol-2-amine. Besides this, it is also called 2-Amino-5-methylsulfonylthiazole. And the chemical formula of this chemical is C4H6N2O2S2.

Physical properties of 2-Thiazolamine,5-(methylsulfonyl)-: (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): 4.45; (5)ACD/KOC (pH 7.4): 4.46; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 109.67 Å2; (10)Index of Refraction: 1.6; (11)Molar Refractivity: 39.75 cm3; (12)Molar Volume: 116.1 cm3; (13)Polarizability: 15.75×10-24cm3; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.533 g/cm3; (16)Flash Point: 224 °C; (17)Enthalpy of Vaporization: 70.49 kJ/mol; (18)Boiling Point: 446.7 °C at 760 mmHg; (19)Vapour Pressure: 3.56E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(C)c1cnc(N)s1
(2)InChI: InChI=1/C4H6N2O2S2/c1-10(7,8)3-2-6-4(5)9-3/h2H,1H3,(H2,5,6)
(3)InChIKey: YEUFRAFORHUMLC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H6N2O2S2/c1-10(7,8)3-2-6-4(5)9-3/h2H,1H3,(H2,5,6)
(5)Std. InChIKey: YEUFRAFORHUMLC-UHFFFAOYSA-N