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19872-09-4 | Ethanesulfonic acid, 2,2'-[(2,3-dimercaptopropyl)imino]di-, disodium salt (6CI,7CI,8CI)
CAS No: 19872-09-4 Catalog No: AG002BPG MDL No:
Product Description
Catalog Number:
AG002BPG
Chemical Name:
Ethanesulfonic acid, 2,2'-[(2,3-dimercaptopropyl)imino]di-, disodium salt (6CI,7CI,8CI)
CAS Number:
19872-09-4
Molecular Formula:
C7H15NNa2O6S4
Molecular Weight:
383.4366
IUPAC Name:
disodium;2-[2,3-bis(sulfanyl)propyl-(2-sulfonatoethyl)amino]ethanesulfonate
InChI:
InChI=1S/C7H17NO6S4.2Na/c9-17(10,11)3-1-8(5-7(16)6-15)2-4-18(12,13)14;;/h7,15-16H,1-6H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChI Key:
CLWVLDCPIAQUHP-UHFFFAOYSA-L
SMILES:
SCC(CN(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])S.[Na+].[Na+]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.958g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.418g/mol
Monoisotopic Mass:
382.958g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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