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918891-43-7 | 3-Butenamide, 2-(phenylmethylene)-N-2-thiazolyl-, (2Z)-
CAS No: 918891-43-7 Catalog No: AG006MGQ MDL No:
Product Description
Catalog Number:
AG006MGQ
Chemical Name:
3-Butenamide, 2-(phenylmethylene)-N-2-thiazolyl-, (2Z)-
CAS Number:
918891-43-7
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
IUPAC Name:
2-benzylidene-N-(1,3-thiazol-2-yl)but-3-enamide
InChI:
InChI=1S/C14H12N2OS/c1-2-12(10-11-6-4-3-5-7-11)13(17)16-14-15-8-9-18-14/h2-10H,1H2,(H,15,16,17)
InChI Key:
OTSYKDZOOUKFOM-UHFFFAOYSA-N
SMILES:
C=C/C(=C/c1ccccc1)/C(=O)Nc1nccs1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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