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27839-75-4

27839-75-4 | Ethanesulfonic acid, 2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1)

CAS No: 27839-75-4 Catalog No: AG002UVS MDL No:

Product Description

Catalog Number:
AG002UVS
Chemical Name:
Ethanesulfonic acid, 2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1)
CAS Number:
27839-75-4
Molecular Formula:
C5H11NaO3S4
Molecular Weight:
270.3888
IUPAC Name:
sodium;2-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]ethanesulfonate
InChI:
InChI=1S/C5H12O3S4.Na/c6-12(7,8)2-1-11-5(3-9)4-10;/h5,9-10H,1-4H2,(H,6,7,8);/q;+1/p-1
InChI Key:
QHBFJBITMYKVKR-UHFFFAOYSA-M
SMILES:
SCC(SCCS(=O)(=O)[O-])CS.[Na+]

Properties

Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.949g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.37g/mol
Monoisotopic Mass:
269.949g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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