IUPAC Name: Disodium 3-(3-sulfonatopropyldisulfanyl)propane-1-sulfonate
Synonyms of 1-Propanesulfonic acid,3,3'-dithiobis-, sodium salt (1:2) (CAS NO.27206-35-5): 3,3'-Dithiobis(1-propanesulfonic acid), disodium salt ; Di(thiopropane sodium sulfonate) ; EINECS 248-324-3 ; gamma,gamma'-Sulfopropyldisulfide, disodium salt ; 1-Propanesulfonic acid, 3,3'-dithiobis-, disodium salt ; Disodium 3,3'-dithiobis(propanesulphonate)
CAS NO: 27206-35-5
Molecular Formula of 1-Propanesulfonic acid,3,3'-dithiobis-, sodium salt (1:2) (CAS NO.27206-35-5): C6H12Na2O6S4
Molecular Weight: 354.3954
Molecular Structure:
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 9
Polar Surface Area of 1-Propanesulfonic acid,3,3'-dithiobis-, sodium salt (1:2) (CAS NO.27206-35-5): 176.1 Å2
SMILES: [Na+].[Na+].O=S([O-])(=O)CCCSSCCCS([O-])(=O)=O
InChI: InChI=1/C6H14O6S4.2Na/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
InChIKey: WIYCQLLGDNXIBA-NUQVWONBAD
Std. InChI: InChI=1S/C6H14O6S4.2Na/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
Std. InChIKey: WIYCQLLGDNXIBA-UHFFFAOYSA-L
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