Home Carboxys 2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid

2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid

CAS No.:
136204-42-7
Catalog Number:
AG01AF18
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
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Product Description
Catalog Number:
AG01AF18
Chemical Name:
2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
136204-42-7
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD11207790
IUPAC Name:
2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H9NO2S/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11)
InChI Key:
PYBUBSXEEWCBEK-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)C1CC1
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties