-
Name
5-CHLORO-THIAZOLE
- EINECS
- CAS No. 4175-73-9
- Article Data1
- CAS DataBase
- Density 1.421 g/cm3
- Solubility
- Melting Point 139-140℃
- Formula C3H2ClNS
- Boiling Point 168.211 °C at 760 mmHg
- Molecular Weight 119.575
- Flash Point 55.532 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-CHLORO-THIAZOLE
- PSA 41.13000
- LogP 1.79650
5-Chlorothiazole Specification
The 5-Chlorothiazole, with CAS registry number 4175-73-9, has the systematic name of 5-chloro-1,3-thiazole. And the chemical formula of this chemical is C3H2ClNS. Its molecular weight is 119.57.
Physical properties of 5-Chlorothiazole: (1)ACD/LogP: 1.24; (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): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 87; (8)ACD/KOC (pH 7.4): 87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 27.623 cm3; (15)Molar Volume: 84.087 cm3; (16)Polarizability: 10.951×10-24cm3; (17)Surface Tension: 47.242 dyne/cm; (18)Enthalpy of Vaporization: 38.802 kJ/mol; (19)Vapour Pressure: 2.164 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cncs1
(2)InChI: InChI=1/C3H2ClNS/c4-3-1-5-2-6-3/h1-2H
(3)InChIKey: YBGBTGGBNZEUJS-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C3H2ClNS/c4-3-1-5-2-6-3/h1-2H
(5)Std. InChIKey: YBGBTGGBNZEUJS-UHFFFAOYSA-N
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