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831242-02-5 | 2-Propenamide, 2-methyl-N-[6-oxo-6-(2-thioxo-3-thiazolidinyl)hexyl]-
CAS No: 831242-02-5 Catalog No: AG008JHG MDL No:
Product Description
Catalog Number:
AG008JHG
Chemical Name:
2-Propenamide, 2-methyl-N-[6-oxo-6-(2-thioxo-3-thiazolidinyl)hexyl]-
CAS Number:
831242-02-5
Molecular Formula:
C13H20N2O2S2
Molecular Weight:
300.4401
IUPAC Name:
2-methyl-N-[6-oxo-6-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]prop-2-enamide
InChI:
InChI=1S/C13H20N2O2S2/c1-10(2)12(17)14-7-5-3-4-6-11(16)15-8-9-19-13(15)18/h1,3-9H2,2H3,(H,14,17)
InChI Key:
SMBGENSJFFLHAN-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)NCCCCCC(=O)N1CCSC1=S
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.435g/mol
Monoisotopic Mass:
300.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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