200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1226776-81-3
1226776-81-3 | Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-(methylthio)-, hydrochloride (1:1)
CAS No: 1226776-81-3 Catalog No: AG0017LN MDL No:MFCD16495895
Product Description
Catalog Number:
AG0017LN
Chemical Name:
Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-(methylthio)-, hydrochloride (1:1)
CAS Number:
1226776-81-3
Molecular Formula:
C8H12ClN3S
Molecular Weight:
217.7190
MDL Number:
MFCD16495895
IUPAC Name:
2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C8H11N3S.ClH/c1-12-8-10-4-6-2-3-9-5-7(6)11-8;/h4,9H,2-3,5H2,1H3;1H
InChI Key:
YFKALMFJNBJAGK-UHFFFAOYSA-N
SMILES:
CSc1ncc2c(n1)CNCC2.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.715g/mol
Monoisotopic Mass:
217.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.