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Name |
Prop-1-ene-1,3-sultone |
EINECS | 606-834-7 |
CAS No. | 21806-61-1 | Density | 1.508 g/cm3 |
PSA | 51.75000 | LogP | 0.94090 |
Solubility | N/A | Melting Point |
82-83 °C |
Formula | C3H4O3S | Boiling Point | 256.6 °C at 760 mmHg |
Molecular Weight | 120.129 | Flash Point | 109 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Propene-1-sulfonicacid, 3-hydroxy-, g-sultone (6CI,7CI);1,3-Propene sultone; |
Article Data | 19 |
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