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CAS No.: | 18277-27-5 |
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Name: | 2-(1-Methylpropyl)-thiazole |
Molecular Structure: | |
Formula: | C7H11NS |
Molecular Weight: | 141.237 |
Synonyms: | Thiazole,2-sec-butyl- (8CI);2-sec-Butylthiazole; |
EINECS: | 242-154-3 |
Density: | 1.001 |
Boiling Point: | 139 ºC |
Flash Point: | 59.4°C |
Hazard Symbols: | |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 41.13000 |
LogP: | 2.65660 |
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The 2-(1-Methylpropyl)-thiazole, with CAS registry number of 18277-27-5, belongs to the following product categories: Intermediates of Dyes and Pigments. It has the systematic name of 2-[(2S)-butan-2-yl]-1,3-thiazole. And it is also named 2-(1-Methylpropyl)thiazole 98+%.
Physical properties about this chemical are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 41.54 cm3; (9)Molar Volume: 138.7 cm3; (10)Polarizability: 16.47×10-24cm3; (11)Surface Tension: 35.8 dyne/cm; (12)Enthalpy of Vaporization: 39.58 kJ/mol; (13)Vapour Pressure: 1.47 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-(1-Methylpropyl)-thiazole irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccsc1[C@@H](C)CC
(2)InChI: InChI=1/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1
(3)InChIKey: MHJSWOZJMPIGJQ-LURJTMIEBC
(4)Std. InChI: InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1
(5)Std. InChIKey: MHJSWOZJMPIGJQ-LURJTMIESA-N