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Home > Other Building Blocks > 1006-12-8
1006-12-8 | 6H-Purine-6-thione, 3,9-dihydro-3-methyl-
CAS No: 1006-12-8 Catalog No: AG0002G9 MDL No:
Product Description
Catalog Number:
AG0002G9
Chemical Name:
6H-Purine-6-thione, 3,9-dihydro-3-methyl-
CAS Number:
1006-12-8
Molecular Formula:
C6H6N4S
Molecular Weight:
166.2036
IUPAC Name:
3-methyl-7H-purine-6-thione
InChI:
InChI=1S/C6H6N4S/c1-10-3-9-6(11)4-5(10)8-2-7-4/h2-3H,1H3,(H,7,8)
InChI Key:
AYDCZHIGNMCFPK-UHFFFAOYSA-N
SMILES:
Cn1cnc(=S)c2c1[nH]cn2
NSC Number:
62621
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.202g/mol
Monoisotopic Mass:
166.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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