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1010068-13-9 | Thieno[2,3-d]pyrimidin-4(1H)-one, 2-amino-
CAS No: 1010068-13-9 Catalog No: AG0003HV MDL No:
Product Description
Catalog Number:
AG0003HV
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 2-amino-
CAS Number:
1010068-13-9
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
IUPAC Name:
2-amino-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C6H5N3OS/c7-6-8-4(10)3-1-2-11-5(3)9-6/h1-2H,(H3,7,8,9,10)
InChI Key:
TZKXCIKFJQSZHT-UHFFFAOYSA-N
SMILES:
Nc1nc(=O)c2c([nH]1)scc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.186g/mol
Monoisotopic Mass:
167.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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