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1887-29-2 | Benzenesulfonothioic acid, sodium salt (1:1)
CAS No: 1887-29-2 Catalog No: AG002H66 MDL No:MFCD00145297
Product Description
Catalog Number:
AG002H66
Chemical Name:
Benzenesulfonothioic acid, sodium salt (1:1)
CAS Number:
1887-29-2
Molecular Formula:
C6H5NaO2S2
Molecular Weight:
196.2225
MDL Number:
MFCD00145297
IUPAC Name:
sodium;oxido-oxo-phenyl-sulfanylidene-λ6-sulfane
InChI:
InChI=1S/C6H6O2S2.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChI Key:
BZHOWMPPNDKQSQ-UHFFFAOYSA-M
SMILES:
[O-]S(=S)(=O)c1ccccc1.[Na+]
EC Number:
217-558-8
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.214g/mol
Monoisotopic Mass:
195.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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