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24851-51-2 | 9H-Purine, 9-methyl-8-(methylthio)-
CAS No: 24851-51-2 Catalog No: AG002PMI MDL No:
Product Description
Catalog Number:
AG002PMI
Chemical Name:
9H-Purine, 9-methyl-8-(methylthio)-
CAS Number:
24851-51-2
Molecular Formula:
C7H8N4S
Molecular Weight:
180.2302
IUPAC Name:
9-methyl-8-methylsulfanylpurine
InChI:
InChI=1S/C7H8N4S/c1-11-6-5(3-8-4-9-6)10-7(11)12-2/h3-4H,1-2H3
InChI Key:
CHVNAJCSHLYMRZ-UHFFFAOYSA-N
SMILES:
CSc1nc2c(n1C)ncnc2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.229g/mol
Monoisotopic Mass:
180.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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