3-Pyridinethiol,6-chloro-(9CI) supplier

Name
3-Pyridinethiol,6-chloro-(9CI)
EINECS
CAS No. 558466-12-9
Article Data3
CAS DataBase
Density 1.358 g/cm³
Solubility
Melting Point
Formula C₅H₄ClNS
Boiling Point 241 °C at 760 mmHg
Molecular Weight 145.613
Flash Point 99.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloropyridine-3-thiol;
PSA 51.69000
LogP 2.02370

3-Pyridinethiol,6-chloro-(9CI) Specification

The 3-Pyridinethiol,6-chloro-(9CI), with the CAS registry number 558466-12-9, is also known as 3-Pyridinethiol, 6-chloro-. It belongs to the product category of Pyridine. This chemical's molecular formula is C₅H₄ClNS and molecular weight is 145.613. What's more, its systematic name is called 6-Chloropyridine-3-thiol.

Physical properties about 3-Pyridinethiol,6-chloro-(9CI) are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 4.42; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68.2; (8)ACD/KOC (pH 7.4): 1.33; (9)#H bond acceptors: 1; (10)#H band donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.19 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 37.41 cm³; (15)Molar Volume: 107.2 cm³; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.358 g/cm³; (18)Flash Point: 99.5 °C; (19)Enthalpy of Vaporization: 45.86 kJ/mol; (20)Boiling Point: 241 °C at 760 mmHg; (21)Vapour Pressure: 0.0571 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ncc(S)cc1
(2) InChI: InChI=1/C5H4ClNS/c6-5-2-1-4(8)3-7-5/h1-3,8H
(3) InChIKey: HCDCXEQCZNVOSX-UHFFFAOYAO

Product Name

3-Pyridinethiol,6-chloro-(9CI)

3-Pyridinethiol,6-chloro-(9CI) Specification

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