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143770-03-0 | Thieno[2,3-d]pyrimidin-4(1H)-one, 2-azido-5,6-dimethyl-
CAS No: 143770-03-0 Catalog No: AG001IBT MDL No:
Product Description
Catalog Number:
AG001IBT
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 2-azido-5,6-dimethyl-
CAS Number:
143770-03-0
Molecular Formula:
C8H7N5OS
Molecular Weight:
221.2391
IUPAC Name:
2-azido-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C8H7N5OS/c1-3-4(2)15-7-5(3)6(14)10-8(11-7)12-13-9/h1-2H3,(H,10,11,14)
InChI Key:
HIVRYNWEAMMBIQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1nc(=O)c2c([nH]1)sc(c2C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.238g/mol
Monoisotopic Mass:
221.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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