Home Other Building Blocks 2-benzoyl-4-(propan-2-yl)-1,3-thiazole

2-benzoyl-4-(propan-2-yl)-1,3-thiazole

CAS No.:
1340453-00-0
Catalog Number:
AG01BDQV
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
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Product Description
Catalog Number:
AG01BDQV
Chemical Name:
2-benzoyl-4-(propan-2-yl)-1,3-thiazole
CAS Number:
1340453-00-0
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
MDL Number:
MFCD18335121
IUPAC Name:
phenyl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
InChI:
InChI=1S/C13H13NOS/c1-9(2)11-8-16-13(14-11)12(15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
GPROSCCXGAYLQK-UHFFFAOYSA-N
SMILES:
O=C(c1scc(n1)C(C)C)c1ccccc1
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties