Chemical ID: 6422478

c1c2c([nH]c(n2)S)ncn1
Chemical ID:
6422478
Name [?]:
9H-purine-8-thiol
SMILES [?]:
c1c2c([nH]c(n2)S)ncn1
InChi [?]:
InChI=1/C5H4N4S/c10-5-8-3-1-6-2-7-4(3)9-5/h1-2H,(H2,6,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,9,2,3,5,10,8,6,4,7/rA:10nCCCNCNSNCN/rB:s1;d2;s3;s4;s2d5;s5;s3;d8;d1s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N4S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.78804
Area:292.234
Solvation:-1.51782
Coulombic:-28.9991
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:152.178
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.14
LogP (Chemaxon):0.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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