Home Other Building Blocks 1-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one

1-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one

CAS No.:
1342614-44-1
Catalog Number:
AG01ACOO
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
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Product Description
Catalog Number:
AG01ACOO
Chemical Name:
1-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one
CAS Number:
1342614-44-1
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD20348890
IUPAC Name:
1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
InChI:
InChI=1S/C8H11NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-5H,1-3H3
InChI Key:
FLSBSCXHPKJRAN-UHFFFAOYSA-N
SMILES:
CC(c1scc(n1)C(=O)C)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties