Home Carboxys 1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-

1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-

CAS No.:
873072-60-7
Catalog Number:
AG00IEH5
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
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Product Description
Catalog Number:
AG00IEH5
Chemical Name:
1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-
CAS Number:
873072-60-7
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD19262122
IUPAC Name:
3-methyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
InChI:
InChI=1S/C7H6N2O2S/c1-3-4-2-5(7(10)11)12-6(4)9-8-3/h2H,1H3,(H,8,9)(H,10,11)
InChI Key:
ANYZOKDMLCFZNW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)[nH]nc2C
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties