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110124-19-1 | 2-Thiazolidinone, 4-methyl-5-(1-oxo-2-butenyl)-
CAS No: 110124-19-1 Catalog No: AG007DW7 MDL No:
Product Description
Catalog Number:
AG007DW7
Chemical Name:
2-Thiazolidinone, 4-methyl-5-(1-oxo-2-butenyl)-
CAS Number:
110124-19-1
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
IUPAC Name:
5-but-2-enoyl-4-methyl-1,3-thiazolidin-2-one
InChI:
InChI=1S/C8H11NO2S/c1-3-4-6(10)7-5(2)9-8(11)12-7/h3-5,7H,1-2H3,(H,9,11)
InChI Key:
BCMWSTWOYRUTAS-UHFFFAOYSA-N
SMILES:
CC1NC(=O)SC1C(=O)C=CC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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