Basic information
- Name:
Ethylmethylthiophosphinic chloride
- CAS No.:
4652-19-1
- Molecular Structure:
- Formula:
- C3H8ClPS
- Molecular Weight:
- 142.5874
- Synonyms:
- Chloro-ethyl-methyl-sulfanylidene-phosphorane;
- EINECS:
- 225-086-9
- Density:
- 1.174 g/cm3
- Boiling Point:
- 155.4 °C at 760 mmHg
- Flash Point:
- 47.8 °C
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Specification
The Ethylmethylthiophosphinic chloride, with the CAS registry number of 4652-19-1, is also known as Chloro-ethyl-methyl-sulfanylidene-phosphorane. Its EINECS registry number is 225-086-9. This chemical's molecular formula is C3H8ClPS and molecular weight is 142.5874. What's more, its systematic name is called Ethyl(methyl)phosphinothioic chloride.
Physical properties about Ethylmethylthiophosphinic chloride are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 38.43; (8)ACD/KOC (pH 7.4): 38.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 34.93 cm3; (15)Molar Volume: 121.4 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.174 g/cm3; (18)Flash Point: 47.8 °C; (19)Enthalpy of Vaporization: 37.59 kJ/mol; (20)Boiling Point: 155.4 °C at 760 mmHg; (21)Vapour Pressure: 3.92 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClP(=S)(C)CC
(2) InChI: InChI=1/C3H8ClPS/c1-3-5(2,4)6/h3H2,1-2H3
(3) InChIKey: ASQSULSJUHKAHC-UHFFFAOYAB