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920282-31-1 | 2-Propenamide, 2-methyl-N-[3-oxo-3-(2-thioxo-3-thiazolidinyl)propyl]-
CAS No: 920282-31-1 Catalog No: AG006ESD MDL No:
Product Description
Catalog Number:
AG006ESD
Chemical Name:
2-Propenamide, 2-methyl-N-[3-oxo-3-(2-thioxo-3-thiazolidinyl)propyl]-
CAS Number:
920282-31-1
Molecular Formula:
C10H14N2O2S2
Molecular Weight:
258.3604
IUPAC Name:
2-methyl-N-[3-oxo-3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]prop-2-enamide
InChI:
InChI=1S/C10H14N2O2S2/c1-7(2)9(14)11-4-3-8(13)12-5-6-16-10(12)15/h1,3-6H2,2H3,(H,11,14)
InChI Key:
QPCKLXWQFRRTAR-UHFFFAOYSA-N
SMILES:
O=C(N1CCSC1=S)CCNC(=O)C(=C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.354g/mol
Monoisotopic Mass:
258.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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