2(3H)-Benzothiazolethione,6-fluoro- supplier

Name
6-FLUORO-BENZOTHIAZOLE-2-THIOL
EINECS
CAS No. 80087-71-4
Article Data14
CAS DataBase
Density 1.55 g/cm³
Solubility
Melting Point
Formula C₇H₄FNS₂
Boiling Point 304.4 °C at 760 mmHg
Molecular Weight 185.246
Flash Point 137.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Fluoro-2(3H)-benzothiazolethione;6-Fluoro-2-mercaptobenzothiazole;
PSA 79.93000
LogP 2.72410

2(3H)-Benzothiazolethione,6-fluoro- Specification

This chemical is called 2(3H)-Benzothiazolethione,6-fluoro-, and its systematic name is 6-fluoro-1,3-benzothiazole-2(3H)-thione. With the molecular formula of C₇H₄FNS₂, its molecular weight is 185.24. The CAS registry number of this chemical is 80087-71-4. Additionally, its product category is Benzothiazole.

Other characteristics of the 2(3H)-Benzothiazolethione,6-fluoro- can be summarised as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 41.27; (6)ACD/BCF (pH 7.4): 40.77; (7)ACD/KOC (pH 5.5): 498.98; (8)ACD/KOC (pH 7.4): 492.96; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60.63 Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 48.22 cm³; (15)Molar Volume: 119.1 cm³; (16)Polarizability: 19.11×10^-24cm³; (17)Surface Tension: 72 dyne/cm; (18)Density: 1.55 g/cm3; (19)Flash Point: 137.9 °C; (20)Enthalpy of Vaporization: 54.48 kJ/mol; (21)Boiling Point: 304.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000876 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc2ccc1c(SC(=S)N1)c2|
2.InChI: InChI=1/C7H4FNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10) |
3.InChIKey: XDZVUKOOUHIRKY-UHFFFAOYAN

Product Name

6-FLUORO-BENZOTHIAZOLE-2-THIOL

2(3H)-Benzothiazolethione,6-fluoro- Specification

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