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1155535-46-8 | Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(hydroxymethyl)-
CAS No: 1155535-46-8 Catalog No: AG000G4Z MDL No:
Product Description
Catalog Number:
AG000G4Z
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(hydroxymethyl)-
CAS Number:
1155535-46-8
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
IUPAC Name:
2-(hydroxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C7H6N2O2S/c10-3-5-8-4-1-2-12-6(4)7(11)9-5/h1-2,10H,3H2,(H,8,9,11)
InChI Key:
SPUDYJDKSHCSPW-UHFFFAOYSA-N
SMILES:
OCc1nc2ccsc2c(=O)[nH]1
Properties
Complexity:
242
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:
2
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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