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| CAS No.: | 202932-04-5 |
|---|---|
| Name: | 5-Methyl-2-thiazolemethanol |
| Molecular Structure: | |
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| Formula: | C5H7NOS |
| Molecular Weight: | 129.183 |
| Synonyms: | (5-methyl-1,3-thiazol-2-yl)methanol;2-thiazolemethanol, 5-methyl-;(5-Methyl-thiazol-2-yl)-methanol;2-(Hydroxymethyl)-5-methyl-1,3-thiazole;(5-methyl-1,3-thiazol-2-yl)methanol; |
| Density: | 1.264 g/cm3 |
| Boiling Point: | 225.026 °C at 760 mmHg |
| Flash Point: | 89.893 °C |
| PSA: | 61.36000 |
| LogP: | 0.94380 |
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Specification
The 5-Methyl-2-thiazolemethanol, with the CAS registry number 202932-04-5, has the systematic name and IUPAC name of (5-methyl-1,3-thiazol-2-yl)methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H7NOS.
The characteristics of 5-Methyl-2-thiazolemethanol are as followings: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.011; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.12; (8)ACD/KOC (pH 7.4): 24.158; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.36 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 34.005 cm3; (15)Molar Volume: 102.228 cm3; (16)Polarizability: 13.481×10-24cm3; (17)Surface Tension: 52.953 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 89.893 °C; (20)Enthalpy of Vaporization: 48.782 kJ/mol; (21)Boiling Point: 225.026 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cnc(s1)CO
(2)InChI: InChI=1/C5H7NOS/c1-4-2-6-5(3-7)8-4/h2,7H,3H2,1H3
(3)InChIKey: BWKAOFJDCPNWEC-UHFFFAOYAV