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sodium 2,3-disulfanylpropane-1-sulfonate hydrate

sodium 2,3-disulfanylpropane-1-sulfonate hydrate

CAS: 207233-91-8

Formula: C3H9NaO4S3

SMILES: O.[Na+].[O-]S(=O)(=O)CC(S)CS

IUPAC: sodium 2,3-disulfanylpropane-1-sulfonate hydrate

InChI: InChI=1/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1

Composition: C (15.79%), H (3.97%), Na (10.07%), O (28.04%), S (42.13%)

Molar Mass: 228.27

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 227.95606657
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XMUHNMQFDVIWGU-UHFFFAOYNA-M
Lipinski's Rule of Five 1
Molar Refractivity 40.18
Topological Polar Surface Area 57.2
Polarizability 17
Ring Count 0
Rotatable Bond Count 3

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