Home Carboxys 5-Thiazolecarboxylic acid, 2-butyl-

5-Thiazolecarboxylic acid, 2-butyl-

CAS No.:
30709-73-0
Catalog Number:
AG00311S
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
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Product Description
Catalog Number:
AG00311S
Chemical Name:
5-Thiazolecarboxylic acid, 2-butyl-
CAS Number:
30709-73-0
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD20638992
IUPAC Name:
2-butyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H11NO2S/c1-2-3-4-7-9-5-6(12-7)8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
BNKZFUBCZHESJT-UHFFFAOYSA-N
SMILES:
CCCCc1ncc(s1)C(=O)O
Properties
Complexity:
163  
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:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties