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123786-30-1 | 1,2-Ethanediol, 1-mercapto- (9CI)
CAS No: 123786-30-1 Catalog No: AG000L35 MDL No:
Product Description
Catalog Number:
AG000L35
Chemical Name:
1,2-Ethanediol, 1-mercapto- (9CI)
CAS Number:
123786-30-1
Molecular Formula:
C2H6O2S
Molecular Weight:
94.1328
IUPAC Name:
1-sulfanylethane-1,2-diol
InChI:
InChI=1S/C2H6O2S/c3-1-2(4)5/h2-5H,1H2
InChI Key:
IMCDMHGUWUJTTD-UHFFFAOYSA-N
SMILES:
OCC(S)O
Properties
Complexity:
23.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.009g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
94.128g/mol
Monoisotopic Mass:
94.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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