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121357-04-8

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Basic Information
CAS No.: 121357-04-8
Name: 2-(2-METHYL-1,3-THIAZOL-4-YL)ETHANOL 97+%
Article Data: 4
Molecular Structure:
Molecular Structure of 121357-04-8 (2-(2-METHYL-1,3-THIAZOL-4-YL)ETHANOL 97+%)
Formula: C6H9NOS
Molecular Weight: 143.21
Synonyms: 2-(2-Methyl-1,3-thiazol-4-yl)ethanol;2-Methyl-4-thiazoleethanol;
Density: 1.206 g/cm3
Boiling Point: 248.7 °C at 760 mmHg
Flash Point: 104.2 °C
Risk Codes:  Harmful:;
">  Harmful:;
Safety: 23-26-36/37/39
PSA: 61.36000
LogP: 0.98630
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Specification

The 4-Thiazoleethanol,2-methyl- is an organic compound with the formula C6H9NOS. The systematic name of this chemical is 2-(2-methyl-1,3-thiazol-4-yl)ethanol. With the CAS registry number 121357-04-8, it is also named as 2-(2-Methyl-1,3-thiazol-4-yl)ethan-1-ol.

Physical properties about 4-Thiazoleethanol,2-methyl- are: (1)ACD/LogP: 0.24; (2)ACD/LogD (pH 5.5): 0.24; (3)ACD/LogD (pH 7.4): 0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.91; (7)ACD/KOC (pH 7.4): 32.27; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 61.36 Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 38.63 cm3; (14)Molar Volume: 118.7 cm3; (15)Polarizability: 15.31×10-24cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.206 g/cm3; (18)Flash Point: 104.2 °C; (19)Enthalpy of Vaporization: 51.34 kJ/mol; (20)Boiling Point: 248.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0126 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCc1csc(C)n1
(2)InChI: InChI=1/C6H9NOS/c1-5-7-6(2-3-8)4-9-5/h4,8H,2-3H2,1H3
(3)InChIKey: REKVZAFNJAMAQL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H9NOS/c1-5-7-6(2-3-8)4-9-5/h4,8H,2-3H2,1H3
(5)Std. InChIKey: REKVZAFNJAMAQL-UHFFFAOYSA-N