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21806-61-1

Basic Information
CAS No.: 21806-61-1
Name: 5H-1,2-Oxathiole,2,2-dioxide
Molecular Structure:
Molecular Structure of 21806-61-1 (5H-1,2-Oxathiole,2,2-dioxide)
Formula: C3H4O3S
Molecular Weight: 120.13
Synonyms: 1-Propene-1-sulfonicacid, 3-hydroxy-, g-sultone (6CI,7CI);1,3-Propene sultone;
EINECS: 606-834-7
Density: 1.508 g/cm3
Melting Point: 82-83 °C
Boiling Point: 256.6 °C at 760 mmHg
Flash Point: 109 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 51.75000
LogP: 0.94090
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    Prop-1-ene-1,3-sultone Basic information Product Name: Prop-1-ene-1,3-sultone Synonyms: 5H-1,2-Oxathiole, 2,2-dioxide;Prop-1-ene-1,3-sultone;1,3-Propene sultone;Prop-1-ene-1,3-sulto;1-Propene1,3-Sultone CAS: 21806-61-1 MF: C3H4O3S

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    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. It is an important pharmaceutical intermediates have an irreplaceab

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    Chemical Name:Prop-1-ene-1,3-sultone Synonyms:5H-1,2-Oxathiole,2,2-dioxide;Prop-1-ene-1,3-sultone;1,3-Propene sultone;Prop-1-ene-1,3-sulto;1-Propene1,3-Sultone;5H-oxathiole 2,2-dioxide CAS No.:21806-61-1 Molecular Formula:C3H4O3S Molecular

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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