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15986-33-1 | 1H-Purine-2,6,8(3H)-trithione, 7,9-dihydro-
CAS No: 15986-33-1 Catalog No: AG001RH6 MDL No:
Product Description
Catalog Number:
AG001RH6
Chemical Name:
1H-Purine-2,6,8(3H)-trithione, 7,9-dihydro-
CAS Number:
15986-33-1
Molecular Formula:
C5H4N4S3
Molecular Weight:
216.3071
IUPAC Name:
7,9-dihydro-3H-purine-2,6,8-trithione
InChI:
InChI=1S/C5H4N4S3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChI Key:
ITERHBFDXIEMFW-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)[nH]c(=S)[nH]c2=S
NSC Number:
22718
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
216.295g/mol
Monoisotopic Mass:
215.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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