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| CAS No.: | 83494-32-0 |
|---|---|
| Name: | Difluoromethylthioacetic acid |
| Molecular Structure: | |
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| Formula: | C3H4F2O2S |
| Molecular Weight: | 142.126 |
| Synonyms: | Aceticacid, [(difluoromethyl)thio]- (9CI);(Difluoromethylthio)acetic acid;2-[(Difluoromethyl)thio]acetic acid; |
| Density: | 1.255g/cm3 |
| Boiling Point: | 126.2°C at 760 mmHg |
| Flash Point: | 30.1°C |
| PSA: | 62.60000 |
| LogP: | 1.02680 |
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Specification
The Difluoromethylthioacetic acid, with CAS registry number 83494-32-0, belongs to the following product category: Pharmaceutical Intermediates. It has the systematic name of 3,3-difluoropropanethioic S-acid. And the chemical formula of this chemical is C3H4F2O2S.
Physical properties of Difluoromethylthioacetic acid: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 55.87 Å2; (11)Index of Refraction: 1.396; (12)Molar Refractivity: 24.15 cm3; (13)Molar Volume: 100.4 cm3; (14)Polarizability: 9.57×10-24cm3; (15)Surface Tension: 25 dyne/cm; (16)Enthalpy of Vaporization: 36.41 kJ/mol; (17)Vapour Pressure: 11.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)CC(=O)S
(2)InChI: InChI=1/C3H4F2OS/c4-2(5)1-3(6)7/h2H,1H2,(H,6,7)
(3)InChIKey: GFEVBYGHLVQVMA-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C3H4F2OS/c4-2(5)1-3(6)7/h2H,1H2,(H,6,7)
(5)Std. InChIKey: GFEVBYGHLVQVMA-UHFFFAOYSA-N
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