Home Other Building Blocks 2-(2-butyl-4-methylthiazol-5-yl)acetic acid

2-(2-butyl-4-methylthiazol-5-yl)acetic acid

CAS No.:
1216095-27-0
Catalog Number:
AG01BTPO
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
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Product Description
Catalog Number:
AG01BTPO
Chemical Name:
2-(2-butyl-4-methylthiazol-5-yl)acetic acid
CAS Number:
1216095-27-0
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD14539781
IUPAC Name:
2-(2-butyl-4-methyl-1,3-thiazol-5-yl)acetic acid
InChI:
InChI=1S/C10H15NO2S/c1-3-4-5-9-11-7(2)8(14-9)6-10(12)13/h3-6H2,1-2H3,(H,12,13)
InChI Key:
BKFQAYYXBLAQIM-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(s1)CC(=O)O)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties