Home Carboxys 2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
386730-36-5
Catalog Number:
AG01A7PW
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
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Product Description
Catalog Number:
AG01A7PW
Chemical Name:
2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
386730-36-5
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD11180924
IUPAC Name:
2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C8H11NO2S/c1-5(2)3-7-9-6(4-12-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
GELCNJDITWBJJG-UHFFFAOYSA-N
SMILES:
CC(Cc1scc(n1)C(=O)O)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties