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| CAS No.: | 52107-46-7 |
|---|---|
| Name: | 2-Amino-4-chlorothiazole |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C3H3ClN2S |
| Molecular Weight: | 134.589 |
| Synonyms: | 4-chlorothiazol-2-amine; |
| Density: | 1.558 g/cm3 |
| Melting Point: | 181-182℃ |
| Boiling Point: | 260.469 °C at 760 mmHg |
| Flash Point: | 111.328 °C |
| PSA: | 67.15000 |
| LogP: | 1.95990 |
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- Total:32 Page 1 of 1 1
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Specification
The 2-Amino-4-chlorothiazole, with CAS registry number 52107-46-7, has the systematic name of 4-chloro-1,3-thiazol-2-amine. It is also called 4-chlorothiazol-2-amine and its molecular formula is C3H3ClN2S. Moreover, its molecular weight is 134.5873.
Physical properties of 2-Amino-4-chlorothiazole are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 79; (8)ACD/KOC (pH 7.4): 81; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 31.86 cm3; (15)Molar Volume: 86.368 cm3; (16)Polarizability: 12.63×10-24cm3; (17)Surface Tension: 66.121 dyne/cm; (18)Density: 1.558 g/cm3; (19)Flash Point: 111.328 °C; (20)Enthalpy of Vaporization: 49.816 kJ/mol; (21)Boiling Point: 260.469 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(sc1)N
(2)InChI: InChI=1/C3H3ClN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
(3)InChIKey: XGWAKKLWGVLLDB-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C3H3ClN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
(5)Std. InChIKey: XGWAKKLWGVLLDB-UHFFFAOYSA-N