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887502-05-8 | Ethanol, 2-mercapto-, sulfite (2:1)
CAS No: 887502-05-8 Catalog No: AG004DCT MDL No:
Product Description
Catalog Number:
AG004DCT
Chemical Name:
Ethanol, 2-mercapto-, sulfite (2:1)
CAS Number:
887502-05-8
Molecular Formula:
C4H14O5S3
Molecular Weight:
238.3460
IUPAC Name:
2-sulfanylethanol;sulfurous acid
InChI:
InChI=1S/2C2H6OS.H2O3S/c2*3-1-2-4;1-4(2)3/h2*3-4H,1-2H2;(H2,1,2,3)
InChI Key:
BOHXGUBNNZSJSI-UHFFFAOYSA-N
SMILES:
OS(=O)O.OCCS.OCCS
Properties
Complexity:
36.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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