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151-01-9 | Carbonodithioic acid, O-ethyl ester
CAS No: 151-01-9 Catalog No: AG001N05 MDL No:
Product Description
Catalog Number:
AG001N05
Chemical Name:
Carbonodithioic acid, O-ethyl ester
CAS Number:
151-01-9
Molecular Formula:
C3H5OS2-
Molecular Weight:
121.2012
IUPAC Name:
ethoxymethanedithioic acid
InChI:
InChI=1S/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)
InChI Key:
ZOOODBUHSVUZEM-UHFFFAOYSA-N
SMILES:
[S-]C(=S)OCC
EC Number:
205-780-8
UNII:
B7B55M6MK1
Properties
Complexity:
52.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.986g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
122.2g/mol
Monoisotopic Mass:
121.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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