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735342-66-2 | 2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-1,3-thiazolidin-4-one
CAS No: 735342-66-2 Catalog No: AG019IJJ MDL No:MFCD04615275
Product Description
Catalog Number:
AG019IJJ
Chemical Name:
2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-1,3-thiazolidin-4-one
CAS Number:
735342-66-2
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD04615275
IUPAC Name:
2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H15NO2S/c1-10(2,3)7(12)5-9-11(4)8(13)6-14-9/h5H,6H2,1-4H3
InChI Key:
MFJKQOSKZHFFRG-UHFFFAOYSA-N
SMILES:
CN1C(=O)CSC1=CC(=O)C(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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