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85187-11-7 | 1-Propanesulfonic acid,2,3-dimercapto-, monosodium salt, (S)- (9CI)
CAS No: 85187-11-7 Catalog No: AG004WC7 MDL No:
Product Description
Catalog Number:
AG004WC7
Chemical Name:
1-Propanesulfonic acid,2,3-dimercapto-, monosodium salt, (S)- (9CI)
CAS Number:
85187-11-7
Molecular Formula:
C3H7NaO3S3
Molecular Weight:
210.2706
IUPAC Name:
sodium;(2S)-2,3-bis(sulfanyl)propane-1-sulfonate
InChI:
InChI=1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1/t3-;/m0./s1
InChI Key:
FGGPAWQCCGEWTJ-DFWYDOINSA-M
SMILES:
SC[C@@H](CS(=O)(=O)[O-])S.[Na+]
EC Number:
286-098-8
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.946g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.256g/mol
Monoisotopic Mass:
209.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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