Home Carboxys 5-Thiazolecarboxylic acid, 2-pentyl-

5-Thiazolecarboxylic acid, 2-pentyl-

CAS No.:
30709-71-8
Catalog Number:
AG00311U
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
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Product Description
Catalog Number:
AG00311U
Chemical Name:
5-Thiazolecarboxylic acid, 2-pentyl-
CAS Number:
30709-71-8
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD20638993
IUPAC Name:
2-pentyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H13NO2S/c1-2-3-4-5-8-10-6-7(13-8)9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChI Key:
JUAWFSIKJVERBY-UHFFFAOYSA-N
SMILES:
CCCCCc1ncc(s1)C(=O)O
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties