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59488-81-2 | 5-Aminothieno[2,3-d]pyrimidine-6-carboxylic Acid
CAS No: 59488-81-2 Catalog No: AG003MER MDL No:MFCD09701987
Product Description
Catalog Number:
AG003MER
Chemical Name:
5-Aminothieno[2,3-d]pyrimidine-6-carboxylic Acid
CAS Number:
59488-81-2
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD09701987
IUPAC Name:
5-aminothieno[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H5N3O2S/c8-4-3-1-9-2-10-6(3)13-5(4)7(11)12/h1-2H,8H2,(H,11,12)
InChI Key:
OZOUSKZJDUDQDW-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1N)cncn2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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