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| CAS No.: | 24340-76-9 |
|---|---|
| Name: | 3-methylisothiazol-5-amine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C4H6N2S |
| Molecular Weight: | 114.171 |
| Synonyms: | Isothiazole,5-amino-3-methyl- (6CI,8CI);3-Methyl-5-aminoisothiazole;3-Methyl-5-isothiazolylamine;3-Methylisothiazol-5-amine;5-Amino-2-methylisothiazole;5-Amino-3-methylisothiazole; |
| EINECS: | 246-176-4 |
| Density: | 1.258 g/cm3 |
| Melting Point: | 52-53 °C |
| Boiling Point: | 120.7 °C at 760 mmHg |
| Flash Point: | 26.8 °C |
| PSA: | 67.15000 |
| LogP: | 1.61490 |
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Specification
The 5-Isothiazolamine,3-methyl-, with the CAS registry number 24340-76-9, is also known as 3-Methylisothiazol-5-amine. Its EINECS registry number is 246-176-4. This chemical's molecular formula is C4H6N2S and molecular weight is 114.16884. Its IUPAC name is called 3-methyl-1,2-thiazol-5-amine.
Physical properties of 5-Isothiazolamine,3-methyl-: (1)ACD/LogP: -0.01; (2)ACD/LogD (pH 5.5): -2.38; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.98; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 31.78 cm3; (13)Molar Volume: 90.6 cm3; (14)Surface Tension: 55.9 dyne/cm; (15)Density: 1.258 g/cm3; (16)Flash Point: 26.8 °C; (17)Enthalpy of Vaporization: 35.88 kJ/mol; (18)Boiling Point: 120.7 °C at 760 mmHg; (19)Vapour Pressure: 15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NSC(=C1)N
(2)InChI: InChI=1S/C4H6N2S/c1-3-2-4(5)7-6-3/h2H,5H2,1H3
(3)InChIKey: CQMHIXRPQGPCNT-UHFFFAOYSA-N