-
Name
3-Chloropyridine-2-thiol
- EINECS
- CAS No. 5897-94-9
- Article Data4
- CAS DataBase
- Density 1.358 g/cm3
- Solubility
- Melting Point 198～200℃
- Formula C5H4ClNS
- Boiling Point 223.287 °C at 760 mmHg
- Molecular Weight 145.61
- Flash Point 88.841 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Pyridinethiol, 3-chloro-;
- PSA 51.69000
- LogP 2.02370
3-Chloropyridine-2-thiol Specification
The 3-Chloropyridine-2-thiol, with the CAS registry number 5897-94-9, is also known as 2-Pyridinethiol, 3-chloro-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C5H4ClNS and molecular weight is 145.61. What's more, its IUPAC name is 3-Chloro-1H-pyridine-2-thione.
Physical properties about 3-Chloropyridine-2-thiol are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.69 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 37.415 cm3; (15)Molar Volume: 107.218 cm3; (16)Polarizability: 14.832×10-24 cm3; (17)Surface Tension: 50.48 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 88.841 °C; (20)Enthalpy of Vaporization: 44.106 kJ/mol; (21)Boiling Point: 223.287 °C at 760 mmHg; (22)Vapour Pressure: 0.145 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccnc1S
(2) InChI: InChI=1/C5H4ClNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
(3) InChIKey: YZJSKNMPZQWOMW-UHFFFAOYAU
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