Home Carboxys 4-methyl-2-(thiophen-3-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(thiophen-3-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:
871544-52-4
Catalog Number:
AG00IEE0
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
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Product Description
Catalog Number:
AG00IEE0
Chemical Name:
4-methyl-2-(thiophen-3-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
871544-52-4
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
MDL Number:
MFCD07352306
IUPAC Name:
4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H7NO2S2/c1-5-7(9(11)12)14-8(10-5)6-2-3-13-4-6/h2-4H,1H3,(H,11,12)
InChI Key:
OGULDBMEXPEPDX-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)c1cscc1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties