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1247900-44-2

1247900-44-2 | 1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethan-1-one

CAS No: 1247900-44-2 Catalog No: AG019YL8 MDL No:MFCD14588465

Product Description

Catalog Number:
AG019YL8
Chemical Name:
1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
1247900-44-2
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD14588465
IUPAC Name:
1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C9H13NOS/c1-5(2)9-10-6(3)8(12-9)7(4)11/h5H,1-4H3
InChI Key:
ZOEMIHCXMCFTRK-UHFFFAOYSA-N
SMILES:
CC(c1nc(c(s1)C(=O)C)C)C

Properties

Complexity:
181  
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:
2.5  

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