Home Carboxys 7-methylthieno[3,2-d]pyrimidine-4-carboxylic acid

7-methylthieno[3,2-d]pyrimidine-4-carboxylic acid

CAS No.:
2059987-21-0
Catalog Number:
AG01BWBY
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
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Product Description
Catalog Number:
AG01BWBY
Chemical Name:
7-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
CAS Number:
2059987-21-0
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD30476981
IUPAC Name:
7-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c1-4-2-13-7-5(4)9-3-10-6(7)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
LCRHGGQKONIOLN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc2c1scc2C
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties