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852678-20-7 | Phenol, 2-(thieno[2,3-d]pyrimidin-4-ylamino)-
CAS No: 852678-20-7 Catalog No: AG004LUG MDL No:
Product Description
Catalog Number:
AG004LUG
Chemical Name:
Phenol, 2-(thieno[2,3-d]pyrimidin-4-ylamino)-
CAS Number:
852678-20-7
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
2-(thieno[2,3-d]pyrimidin-4-ylamino)phenol
InChI:
InChI=1S/C12H9N3OS/c16-10-4-2-1-3-9(10)15-11-8-5-6-17-12(8)14-7-13-11/h1-7,16H,(H,13,14,15)
InChI Key:
ZQJWLIFYXVFSAB-UHFFFAOYSA-N
SMILES:
Oc1ccccc1Nc1ncnc2c1ccs2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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