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79-25-4

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Basic Information
CAS No.: 79-25-4
Name: hydroxymethanesulphinic acid
Molecular Structure:
Molecular Structure of 79-25-4 (hydroxymethanesulphinic acid)
Formula: CH4O3S
Molecular Weight: 96.107
Synonyms: Formaldehydesulfoxylate;
EINECS: 201-189-4
Density: 1.939 g/cm3
Boiling Point: 446.4 °C at 760 mmHg
Flash Point: 223.8 °C
PSA: 76.74000
LogP: 0.02360
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Specification

The Methanesulfinic acid,hydroxy- (8CI,9CI), with the CAS registry number of 79-25-4, is also known as Formaldehydesulfoxylate. Its EINECS registry number is 201-189-4. Its molecular formula is CH4O3S and molecular weight is 96.10566. What's more, its IUPAC name is Hydroxymethanesulfinic acid. It is the antidote for mercury poisoning.

Physical properties about the Methanesulfinic acid,hydroxy- (8CI,9CI) are: (1)ACD/LogP: -2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.74; (4)ACD/LogD (pH 7.4): -5.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.74 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 18.61 cm3; (15)Molar Volume: 49.5 cm3; (16)Surface Tension: 160.2 dyne/cm; (17)Density: 1.939 g/cm3; (18)Flash Point: 223.8 °C; (19)Enthalpy of Vaporization: 81.3 kJ/mol; (20)Boiling Point: 446.4 °C at 760 mmHg; (21)Vapour Pressure: 7.6E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(O)CO
(2) InChI: InChI=1/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)
(3) InChIKey: SBGKURINHGJRFN-UHFFFAOYAL