Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2(3H)-Benzothiazolethione,6-fluoro- |
EINECS | N/A |
CAS No. | 80087-71-4 | Density | 1.55 g/cm3 |
PSA | 79.93000 | LogP | 2.72410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4FNS2 | Boiling Point | 304.4 °C at 760 mmHg |
Molecular Weight | 185.246 | Flash Point | 137.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Fluoro-2(3H)-benzothiazolethione;6-Fluoro-2-mercaptobenzothiazole; |
Article Data | 14 |
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