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6469-35-8

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Basic Information
CAS No.: 6469-35-8
Name: 4-methylthiazole-5-propanol
Article Data: 7
Molecular Structure:
Molecular Structure of 6469-35-8 (4-methylthiazole-5-propanol)
Formula: C7H11NOS
Molecular Weight: 157.236
Synonyms: 4-methylthiazole-5-propanol;4-Methyl-5-thiazole-1-propanol;Einecs 229-285-1;
EINECS: 229-285-1
Density: 1.162 g/cm3
Boiling Point: 283.6 °C at 760 mmHg
Flash Point: 125.3 °C
PSA: 61.36000
LogP: 1.37640
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Specification

The CAS register number of 5-Thiazolepropanol,4-methyl- is 6469-35-8. It also can be called as 4-Methyl-5-thiazole-1-propanol and the systematic name about this chemical is 3-(4-methyl-1,3-thiazol-5-yl)propan-1-ol. The molecular formula about this chemical is C7H11NOS and the molecular weight is 157.23334.

Physical properties about 5-Thiazolepropanol,4-methyl- are: (1)ACD/LogP: 0.56; (2)ACD/LogD (pH 5.5): 0.56; (3)ACD/LogD (pH 7.4): 0.56; (4)ACD/BCF (pH 5.5): 1.55; (5)ACD/BCF (pH 7.4): 1.57; (6)ACD/KOC (pH 5.5): 47.48; (7)ACD/KOC (pH 7.4): 48.09; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 50.36 Å2; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 43.27 cm3; (14)Molar Volume: 135.2 cm3; (15)Polarizability: 17.15x10-24cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.162 g/cm3; (18)Flash Point: 125.3 °C; (19)Enthalpy of Vaporization: 55.2 kJ/mol; (20)Boiling Point: 283.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00147 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(sc1)CCCO)C
(2)InChI: InChI=1/C7H11NOS/c1-6-7(3-2-4-9)10-5-8-6/h5,9H,2-4H2,1H3
(3)InChIKey: RCYGJEJBLJTNJE-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H11NOS/c1-6-7(3-2-4-9)10-5-8-6/h5,9H,2-4H2,1H3
(5)Std. InChIKey: RCYGJEJBLJTNJE-UHFFFAOYSA-N