4-(4-Chlorophenyl)-4-thiazoline-2-thione supplier

Name
LABOTEST-BB LT01281636
EINECS
CAS No. 2104-00-9
Article Data7
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point
Formula C₉H₆ClNS₂
Boiling Point 359.3 °C at 760 mmHg
Molecular Weight 227.738
Flash Point 171.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-chlorophenyl)thiazole-2-thiol;4-(4-Chlorophenyl)-4-thiazoline-2-thione;HMS2722P12;4-(4-chlorophenyl)-1,3-thiazole-2-thiol;4-(4-chlorophenyl)-2-mercaptothiazole;4-(4-chloro-phenyl)-3H-thiazole-2-thione;4-<4-Chlor-phenyl>-2-mercapto-thiazol;4-(p-Chlorophenyl)-2-mercaptothiazole;
PSA 79.93000
LogP 3.75220

4-(4-Chlorophenyl)-4-thiazoline-2-thione Specification

The 4-(4-Chlorophenyl)-4-thiazoline-2-thione, with the CAS registry number 2104-00-9, is also known as 2-Thiazolethiol, 4-(4-chlorophenyl)-. This chemical's molecular formula is C₉H₆ClNS₂ and molecular weight is 227.73. Its systematic name is called 4-(4-Chlorophenyl)-1,3-thiazole-2(3H)-thione.

Physical properties of 4-(4-Chlorophenyl)-4-thiazoline-2-thione: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 38.73; (6)ACD/BCF (pH 7.4): 7.86; (7)ACD/KOC (pH 5.5): 215.31; (8)ACD/KOC (pH 7.4): 43.7; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.749; (13)Molar Refractivity: 61.88 cm³; (14)Molar Volume: 152 cm³; (15)Surface Tension: 71.8 dyne/cm; (16)Density: 1.49 g/cm³; (17)Flash Point: 171.1 °C; (18)Enthalpy of Vaporization: 60.48 kJ/mol; (19)Boiling Point: 359.3 °C at 760 mmHg; (20)Vapour Pressure: 2.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2S\C=C(\c1ccc(Cl)cc1)N2
(2)InChI: InChI=1/C9H6ClNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
(3)InChIKey: LXFBSCKJEIVRGP-UHFFFAOYAX

Product Name

LABOTEST-BB LT01281636

4-(4-Chlorophenyl)-4-thiazoline-2-thione Specification

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