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CAS No.: | 13750-63-5 |
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Name: | (4-METHYLTHIAZOL-2-YL)METHANOL |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C5H7NOS |
Molecular Weight: | 129.183 |
Synonyms: | (4-Methyl-1,3-thiazol-2-yl)methanol;(4-Methylthiazol-2-yl)methanol;2-Hydroxymethyl-4-Methylthiazole; |
EINECS: | 200-589-5 |
Density: | 1.263g/cm3 |
Boiling Point: | 225.026 °C at 760 mmHg |
Flash Point: | 89.893 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26-39 |
PSA: | 61.36000 |
LogP: | 0.94380 |
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The 2-Thiazolemethanol,4-methyl-, with CAS registry number 13750-63-5, belongs to the following product categories: (1)Hydroxymethyl's; (2)Thiazoles, Isothiazoles & Benzothiazoles; (3)Building Blocks; (4)Thiazole. It has the systematic name of (4-methyl-1,3-thiazol-2-yl)methanol. And the chemical formula of this chemical is C5H7NOS.
Physical properties of 2-Thiazolemethanol,4-methyl-: (1)ACD/LogP: -0.55; (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): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 62; (8)ACD/KOC (pH 7.4): 62; (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.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1csc(CO)n1
(2)InChI: InChI=1/C5H7NOS/c1-4-3-8-5(2-7)6-4/h3,7H,2H2,1H3
(3)InChIKey: CQMPPPAHJBQCOY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H7NOS/c1-4-3-8-5(2-7)6-4/h3,7H,2H2,1H3
(5)Std. InChIKey: CQMPPPAHJBQCOY-UHFFFAOYSA-N