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10179-95-0 | 9H-Purine, 2,8-bis(methylthio)-
CAS No: 10179-95-0 Catalog No: AG0005KU MDL No:
Product Description
Catalog Number:
AG0005KU
Chemical Name:
9H-Purine, 2,8-bis(methylthio)-
CAS Number:
10179-95-0
Molecular Formula:
C7H8N4S2
Molecular Weight:
212.2952
IUPAC Name:
2,8-bis(methylsulfanyl)-7H-purine
InChI:
InChI=1S/C7H8N4S2/c1-12-6-8-3-4-5(10-6)11-7(9-4)13-2/h3H,1-2H3,(H,8,9,10,11)
InChI Key:
SLWGPMQRESBAGB-UHFFFAOYSA-N
SMILES:
CSc1ncc2c(n1)[nH]c(n2)SC
NSC Number:
29190
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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