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367476-03-7 | 4-{[(5Z)-3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzonitrile
CAS No: 367476-03-7 Catalog No: AG00IY30 MDL No:MFCD03618061
Product Description
Catalog Number:
AG00IY30
Chemical Name:
4-{[(5Z)-3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzonitrile
CAS Number:
367476-03-7
Molecular Formula:
C12H8N2O2S
Molecular Weight:
244.2691
MDL Number:
MFCD03618061
IUPAC Name:
4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
InChI:
InChI=1S/C12H8N2O2S/c1-14-11(15)10(17-12(14)16)6-8-2-4-9(7-13)5-3-8/h2-6H,1H3
InChI Key:
AJFMQVZLNVTZCL-UHFFFAOYSA-N
SMILES:
CN1C(=O)S/C(=C\c2ccc(cc2)C#N)/C1=O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.268g/mol
Monoisotopic Mass:
244.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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