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Prop-1-ene-1,3-sultone

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Name

Prop-1-ene-1,3-sultone

EINECS
CAS No. 21806-61-1 Density 1.508 g/cm3
Solubility Melting Point 82-83 °C
Formula C3H4O3S Boiling Point 256.6 °C at 760 mmHg
Molecular Weight 120.13 Flash Point 109 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 21806-61-1 (5H-1,2-Oxathiole,2,2-dioxide) Hazard Symbols
Synonyms

1-Propene-1-sulfonicacid, 3-hydroxy-, g-sultone (6CI,7CI);1,3-Propene sultone;

 

Prop-1-ene-1,3-sultone Specification

The Prop-1-ene-1,3-sultone with the CAS number 21806-61-1 is also called 1,3-Propene sultone. The systematic name is 5H-1,2-oxathiole 2,2-dioxide. Its molecular formula is C3H4O3S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Prop-1-ene-1,3-sultone are: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.89; (8)ACD/KOC (pH 7.4): 8.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 24.35 cm3; (15)Molar Volume: 79.6 cm3; (16)Polarizability: 9.65×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Enthalpy of Vaporization: 47.41 kJ/mol; (19)Vapour Pressure: 0.0245 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S/1(=O)OC\C=C\1
(2)InChI: InChI=1/C3H4O3S/c4-7(5)3-1-2-6-7/h1,3H,2H2
(3)InChIKey: KLLQVNFCMHPYGL-UHFFFAOYAX

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