Home Other Building Blocks 1-(2-tert-butyl-1,3-thiazol-4-yl)ethanone

1-(2-tert-butyl-1,3-thiazol-4-yl)ethanone

CAS No.:
1343456-16-5
Catalog Number:
AG01DI0D
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
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Product Description
Catalog Number:
AG01DI0D
Chemical Name:
1-(2-tert-butyl-1,3-thiazol-4-yl)ethanone
CAS Number:
1343456-16-5
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD20348883
IUPAC Name:
1-(2-tert-butyl-1,3-thiazol-4-yl)ethanone
InChI:
InChI=1S/C9H13NOS/c1-6(11)7-5-12-8(10-7)9(2,3)4/h5H,1-4H3
InChI Key:
AFBLIINTGRGOBD-UHFFFAOYSA-N
SMILES:
CC(=O)c1csc(n1)C(C)(C)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties