-
Name
4-Fluoro-2(3H)-benzothiazolethione
- EINECS
- CAS No. 154327-24-9
- Article Data1
- CAS DataBase
- Density 1.505g/cm3
- Solubility
- Melting Point 187-188℃
- Formula C7H4FNS2
- Boiling Point 286.1°C at 760 mmHg
- Molecular Weight 185.246
- Flash Point 126.8°C
- Transport Information
- Appearance
- Safety
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms LogP
- PSA 79.93000
- LogP 2.72410
4-Fluoro-2(3H)-benzothiazolethione Chemical Properties
Molecular Structure of 4-Fluoro-2(3H)-benzothiazolethione (CAS NO.154327-24-9):
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Systematic Name: 4-Fluoro-1,3-benzothiazole-2-thiol
Molecular Formula: C7H4FNS2
Molecular Weight: 185.24
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Index of Refraction: 1.722
Molar Refractivity: 48.74 cm3
Molar Volume: 123 cm3
Surface Tension: 61 dyne/cm
Density: 1.505 g/cm3
Melting Point: 187-188 °C
Flash Point: 126.8 °C
Enthalpy of Vaporization: 50.41 kJ/mol
Boiling Point: 286.1 °C at 760 mmHg
Vapour Pressure: 0.00465 mmHg at 25 °C
SMILES: Fc1cccc2sc(S)nc12
InChI: InChI=1/C7H4FNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
InChIKey: RCIYHBWAAXQWTQ-UHFFFAOYAM
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