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| CAS No.: | 50382-32-6 |
|---|---|
| Name: | (2,4-Dimethyl-1,3-thiazol-5-yl)methanol |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H9NOS |
| Molecular Weight: | 143.21 |
| Synonyms: | (2,4-Dimethyl-1,3-thiazol-5-yl)methanol;(2,4-Dimethylthiazol-5-yl)methanol;2,4-Dimethyl-5-(hydroxymethyl)thiazole;2,4-Dimethylthiazole-5-methanol;5-Thiazolemethanol, 2,4-dimethyl-; |
| Density: | 1.208 g/cm3 |
| Melting Point: | 56 °C |
| Boiling Point: | 261.965 °C at 760 mmHg |
| Flash Point: | 112.233 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 61.36000 |
| LogP: | 1.25220 |
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Specification
The 5-Thiazolemethanol,2,4-dimethyl-, with the CAS registry number 50382-32-6, has the systematic name of (2,4-dimethylthiazol-5-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 C6H9NOS.
The characteristics of 5-Thiazolemethanol,2,4-dimethyl- are as followings: (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): 16.612; (5)ACD/KOC (pH 7.4): 16.827; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 61.36 Å2; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 38.83 cm3; (12)Molar Volume: 118.503 cm3; (13)Polarizability: 15.393×10-24cm3; (14)Surface Tension: 48.926 dyne/cm; (15)Density: 1.208 g/cm3; (16)Flash Point: 112.233 °C; (17)Enthalpy of Vaporization: 52.795 kJ/mol; (18)Boiling Point: 261.965 °C at 760 mmHg; (19)Vapour Pressure: 0.006 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c(sc(n1)C)CO
(2)InChI: InChI=1/C6H9NOS/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3
(3)InChIKey: BRQKYVQSAUQHNC-UHFFFAOYAI