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Cas Database |
| Name |
2(3H)-Benzothiazolethione,7-chloro- |
EINECS | N/A |
| CAS No. | 1849-73-6 | Density | 1.6 g/cm3 |
| PSA | 79.93000 | LogP | 3.23840 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7-Chlorobenzothiazole-2-thiol;7-Chloro-2-mercaptobenzothiazole;7-Chloro-2(3H)-benzothiazolethione;2-Benzothiazolethiol,7-chloro- (7CI,8CI); |
Article Data | 17 |
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
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