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Home > Pyridines > 929973-53-5
929973-53-5 | 5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-2-thiol
CAS No: 929973-53-5 Catalog No: AG019Q8F MDL No:MFCD09040778
Product Description
Catalog Number:
AG019Q8F
Chemical Name:
5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-2-thiol
CAS Number:
929973-53-5
Molecular Formula:
C7H9N3S
Molecular Weight:
167.2315
MDL Number:
MFCD09040778
IUPAC Name:
5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
InChI:
InChI=1S/C7H9N3S/c11-7-9-4-5-3-8-2-1-6(5)10-7/h4,8H,1-3H2,(H,9,10,11)
InChI Key:
KLFLEGPJGSHEIK-UHFFFAOYSA-N
SMILES:
Sc1ncc2c(n1)CCNC2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.23g/mol
Monoisotopic Mass:
167.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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