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76274-72-1 | 1-Propanesulfonic acid, 3,3'-dithiobis[2-hydroxy-
CAS No: 76274-72-1 Catalog No: AG005705 MDL No:
Product Description
Catalog Number:
AG005705
Chemical Name:
1-Propanesulfonic acid, 3,3'-dithiobis[2-hydroxy-
CAS Number:
76274-72-1
Molecular Formula:
C6H14O8S4
Molecular Weight:
342.4306
IUPAC Name:
2-hydroxy-3-[(2-hydroxy-3-sulfopropyl)disulfanyl]propane-1-sulfonic acid
InChI:
InChI=1S/C6H14O8S4/c7-5(3-17(9,10)11)1-15-16-2-6(8)4-18(12,13)14/h5-8H,1-4H2,(H,9,10,11)(H,12,13,14)
InChI Key:
ZUFMFTGDCZKQRE-UHFFFAOYSA-N
SMILES:
OC(CS(=O)(=O)O)CSSCC(CS(=O)(=O)O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.957g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.41g/mol
Monoisotopic Mass:
341.957g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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