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Home > Imidazoles > 691869-00-8
691869-00-8 | (3E)-4-[6-(benzylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one
CAS No: 691869-00-8 Catalog No: AG00IPVL MDL No:MFCD02661615
Product Description
Catalog Number:
AG00IPVL
Chemical Name:
(3E)-4-[6-(benzylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]but-3-en-2-one
CAS Number:
691869-00-8
Molecular Formula:
C16H14N2OS2
Molecular Weight:
314.4252
MDL Number:
MFCD02661615
IUPAC Name:
4-(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)but-3-en-2-one
InChI:
InChI=1S/C16H14N2OS2/c1-12(19)7-8-14-15(17-16-18(14)9-10-20-16)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
WDKDRHPDBKTMAS-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1c(SCc2ccccc2)nc2n1ccs2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.421g/mol
Monoisotopic Mass:
314.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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