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87258-35-3 | Acetic acid, thioxo-, ethyl ester
CAS No: 87258-35-3 Catalog No: AG004PZ6 MDL No:
Product Description
Catalog Number:
AG004PZ6
Chemical Name:
Acetic acid, thioxo-, ethyl ester
CAS Number:
87258-35-3
Molecular Formula:
C4H6O2S
Molecular Weight:
118.1542
IUPAC Name:
ethyl 2-sulfanylideneacetate
InChI:
InChI=1S/C4H6O2S/c1-2-6-4(5)3-7/h3H,2H2,1H3
InChI Key:
PYZYWIMJYKNRSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=S
Properties
Complexity:
79.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.009g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.15g/mol
Monoisotopic Mass:
118.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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