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16878-77-6 | Pteridine, 2-(methylthio)-
CAS No: 16878-77-6 Catalog No: AG001YAD MDL No:
Product Description
Catalog Number:
AG001YAD
Chemical Name:
Pteridine, 2-(methylthio)-
CAS Number:
16878-77-6
Molecular Formula:
C7H6N4S
Molecular Weight:
178.2143
IUPAC Name:
2-methylsulfanylpteridine
InChI:
InChI=1S/C7H6N4S/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3
InChI Key:
LNTLWEUAGAFRJR-UHFFFAOYSA-N
SMILES:
CSc1ncc2c(n1)nccn2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.213g/mol
Monoisotopic Mass:
178.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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