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1254073-67-0 | ethyl 2-formamido-2-thioxoacetate
CAS No: 1254073-67-0 Catalog No: AG01FECF MDL No:
Product Description
Catalog Number:
AG01FECF
Chemical Name:
ethyl 2-formamido-2-thioxoacetate
CAS Number:
1254073-67-0
Molecular Formula:
C5H7NO3S
Molecular Weight:
161.1790
IUPAC Name:
ethyl 2-formamido-2-sulfanylideneacetate
InChI:
InChI=1S/C5H7NO3S/c1-2-9-5(8)4(10)6-3-7/h3H,2H2,1H3,(H,6,7,10)
InChI Key:
GSEANZFIQZDNBT-UHFFFAOYSA-N
SMILES:
O=CNC(=S)C(=O)OCC
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.175g/mol
Monoisotopic Mass:
161.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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