Products Categories
CAS No.: | 1849-65-6 |
---|---|
Name: | 4-Chloro-2-mercaptobenzothiazole |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H4ClNS2 |
Molecular Weight: | 201.7 |
Synonyms: | 2-Benzothiazolethiol,4-chloro- (7CI,8CI);4-Chloro-2-benzothiazolethiol;4-Chloro-2-mercaptobenzothiazole; |
Density: | 1.542 g/cm3 |
Melting Point: | 209-210 °C |
Boiling Point: | 318.689 °C at 760 mmHg |
Flash Point: | 146.538 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 79.93000 |
LogP: | 3.23840 |
What can I do for you?
Get Best Price
The CAS register number of 4-Chloro-2-mercaptobenzothiazole is 1849-65-6. It also can be called as 4-Chloro-2(3H)-benzothiazolethione and the systematic name about this chemical is 4-chloro-1,3-benzothiazole-2-thiol. The molecular formula about this chemical is C7H4ClNS2 and the molecular weight is 201.70. It belongs to the following product categories, such as Benzothiazole; Heterocycles; Heterocyclic Compound and so on.
Physical properties about 4-Chloro-2-mercaptobenzothiazole are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2; (3)ACD/BCF (pH 5.5): 7; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 60; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 1; (8)Polar Surface Area: 79.93Å2; (9)Index of Refraction: 1.756; (10)Molar Refractivity: 53.641 cm3; (11)Molar Volume: 130.814 cm3; (12)Polarizability: 21.265x10-24cm3; (13)Surface Tension: 65.949 dyne/cm; (14) Enthalpy of Vaporization: 53.791 kJ/mol; (15)Boiling Point: 318.689 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1sc(S)nc12
(2)InChI: InChI=1/C7H4ClNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
(3)InChIKey: MYBFPRUVQGKNIV-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H4ClNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
(5)Std. InChIKey: MYBFPRUVQGKNIV-UHFFFAOYSA-N