2(3H)-Benzothiazolethione,7-chloro- supplier

Name
2(3H)-Benzothiazolethione,7-chloro-(9CI)
EINECS
CAS No. 1849-73-6
Article Data17
CAS DataBase
Density 1.6 g/cm³
Solubility
Melting Point 245-247 °C
Formula C₇H₄ClNS₂
Boiling Point 326.2 °C at 760 mmHg
Molecular Weight 201.6964
Flash Point 151.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Chlorobenzothiazole-2-thiol;7-Chloro-2-mercaptobenzothiazole;7-Chloro-2(3H)-benzothiazolethione;2-Benzothiazolethiol,7-chloro- (7CI,8CI);
PSA 79.93000
LogP 3.23840

2(3H)-Benzothiazolethione,7-chloro- Specification

The 2(3H)-Benzothiazolethione,7-chloro-, with the CAS registry number 1849-73-6, belongs to the product category of Benzothiazole. This chemical's molecular formula is C₇H₄ClNS₂ and molecular weight is 201.6964. Its systematic name is called 7-chloro-1,3-benzothiazole-2(3H)-thione.

Physical properties of 2(3H)-Benzothiazolethione,7-chloro-: (1)ACD/LogP: 2.97; (2)ACD/LogD (pH 5.5): 2.97; (3)ACD/LogD (pH 7.4): 2.96; (4)ACD/BCF (pH 5.5): 106.78; (5)ACD/BCF (pH 7.4): 103.28; (6)ACD/KOC (pH 5.5): 985.25; (7)ACD/KOC (pH 7.4): 952.99; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.785; (11)Molar Refractivity: 52.93 cm³; (12)Molar Volume: 125.4 cm³; (13)Surface Tension: 81.3 dyne/cm; (14)Density: 1.6 g/cm³; (15)Flash Point: 151.1 °C; (16)Enthalpy of Vaporization: 56.84 kJ/mol; (17)Boiling Point: 326.2 °C at 760 mmHg; (18)Vapour Pressure: 0.000219 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1c2SC(=S)N1
(2)InChI: InChI=1/C7H4ClNS2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
(3)InChIKey: VPDPFMGWDPYVEK-UHFFFAOYAL

Product Name

2(3H)-Benzothiazolethione,7-chloro-(9CI)

2(3H)-Benzothiazolethione,7-chloro- Specification

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