Basic Information | Post buying leads | Suppliers |
Name |
2-Thiazolamine,5-(methylsulfonyl)- |
EINECS | N/A |
CAS No. | 20812-13-9 | Density | 1.533g/cm3 |
PSA | 109.67000 | LogP | 1.79080 |
Solubility | N/A | Melting Point |
176-178℃ (ethanol ) |
Formula | C4H6N2O2S2 | Boiling Point | 446.7 °C at 760 mmHg |
Molecular Weight | 178.236 | Flash Point | 224 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Thiazole, 2-amino-5-(methylsulfonyl)-(6CI,8CI);2-Amino-5-methylsulfonylthiazole;5-(Methylsulfonyl)thiazol-2-ylamine; |
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