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Home > Pyridines > 1255717-42-0
1255717-42-0 | sodium 6-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thiolate
CAS No: 1255717-42-0 Catalog No: AG00J3H8 MDL No:MFCD13194052
Product Description
Catalog Number:
AG00J3H8
Chemical Name:
sodium 6-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thiolate
CAS Number:
1255717-42-0
Molecular Formula:
C8H10N3NaS
Molecular Weight:
203.2399
MDL Number:
MFCD13194052
IUPAC Name:
sodium;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-thiolate
InChI:
InChI=1S/C8H11N3S.Na/c1-11-3-2-7-6(5-11)4-9-8(12)10-7;/h4H,2-3,5H2,1H3,(H,9,10,12);/q;+1/p-1
InChI Key:
PEBJNMVJZAIGGL-UHFFFAOYSA-M
SMILES:
CN1CCc2c(C1)cnc(n2)[S-].[Na+]
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.239g/mol
Monoisotopic Mass:
203.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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