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1008-08-8 | 3H-Purine, 3-methyl-6-(methylthio)-
CAS No: 1008-08-8 Catalog No: AG0002WQ MDL No:
Product Description
Catalog Number:
AG0002WQ
Chemical Name:
3H-Purine, 3-methyl-6-(methylthio)-
CAS Number:
1008-08-8
Molecular Formula:
C7H8N4S
Molecular Weight:
180.2302
IUPAC Name:
3-methyl-6-methylsulfanylpurine
InChI:
InChI=1S/C7H8N4S/c1-11-4-10-7(12-2)5-6(11)9-3-8-5/h3-4H,1-2H3
InChI Key:
JZJPPRVXJHAHQM-UHFFFAOYSA-N
SMILES:
CSc1ncn(c2c1ncn2)C
NSC Number:
66388
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:
0.6
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