Home Other Building Blocks 1-(1,3-thiazol-2-yl)butane-1,3-dione

1-(1,3-thiazol-2-yl)butane-1,3-dione

CAS No.:
1423028-06-1
Catalog Number:
AG01A274
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
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Product Description
Catalog Number:
AG01A274
Chemical Name:
1-(1,3-thiazol-2-yl)butane-1,3-dione
CAS Number:
1423028-06-1
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD21120568
IUPAC Name:
1-(1,3-thiazol-2-yl)butane-1,3-dione
InChI:
InChI=1S/C7H7NO2S/c1-5(9)4-6(10)7-8-2-3-11-7/h2-3H,4H2,1H3
InChI Key:
RSEUHUWMELAQBM-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)c1nccs1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties