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19872-02-7 | 1-Propanesulfonic acid, 3-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1)
CAS No: 19872-02-7 Catalog No: AG002BPI MDL No:
Product Description
Catalog Number:
AG002BPI
Chemical Name:
1-Propanesulfonic acid, 3-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1)
CAS Number:
19872-02-7
Molecular Formula:
C6H13NaO3S4
Molecular Weight:
284.4154
IUPAC Name:
sodium;3-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]propane-1-sulfonate
InChI:
InChI=1S/C6H14O3S4.Na/c7-13(8,9)3-1-2-12-6(4-10)5-11;/h6,10-11H,1-5H2,(H,7,8,9);/q;+1/p-1
InChI Key:
VBXLCKSQOZKRLY-UHFFFAOYSA-M
SMILES:
SCC(SCCCS(=O)(=O)[O-])CS.[Na+]
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.965g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.397g/mol
Monoisotopic Mass:
283.965g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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