Home Other Building Blocks 1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID

1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID

CAS No.:
1368183-24-7
Catalog Number:
AG01DYP7
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
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Product Description
Catalog Number:
AG01DYP7
Chemical Name:
1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
CAS Number:
1368183-24-7
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD22064475
IUPAC Name:
1-methylthieno[2,3-c]pyrazole-5-carboxylic acid
InChI:
InChI=1S/C7H6N2O2S/c1-9-6-4(3-8-9)2-5(12-6)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
WTULXUJDPPZFDV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)n(nc2)C
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:
1  
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties