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477847-69-1 | (2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CAS No: 477847-69-1 Catalog No: AG00IN4Q MDL No:MFCD02083282
Product Description
Catalog Number:
AG00IN4Q
Chemical Name:
(2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CAS Number:
477847-69-1
Molecular Formula:
C17H13NOS2
Molecular Weight:
311.4212
MDL Number:
MFCD02083282
IUPAC Name:
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C17H13NOS2/c1-12-16(15(19)10-9-14-8-5-11-20-14)21-17(18-12)13-6-3-2-4-7-13/h2-11H,1H3
InChI Key:
WLMGZTKXNRAXNJ-UHFFFAOYSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)/C=C/c1cccs1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.417g/mol
Monoisotopic Mass:
311.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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