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4175-73-9

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Basic Information
CAS No.: 4175-73-9
Name: 5-CHLORO-THIAZOLE
Article Data: 1
Molecular Structure:
Molecular Structure of 4175-73-9 (5-CHLORO-THIAZOLE)
Formula: C3H2ClNS
Molecular Weight: 119.575
Synonyms: 5-CHLORO-THIAZOLE
Density: 1.421 g/cm3
Melting Point: 139-140℃
Boiling Point: 168.211 °C at 760 mmHg
Flash Point: 55.532 °C
PSA: 41.13000
LogP: 1.79650
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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