Chemical ID: 6691781

c1[nH]c2c(n1)nc(nc2S)N
Chemical ID:
6691781
Name [?]:
2-amino-7H-purine-6-thiol
SMILES [?]:
c1[nH]c2c(n1)nc(nc2S)N
InChi [?]:
InChI=1/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,7,11,2,5,6,8,10/rA:11nCNCCNNCNCSN/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s9;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.10217
Area:307.537
Solvation:-1.58625
Coulombic:-46.5689
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:167.193
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.13
LogP (Chemaxon):0.56

Name Annotations

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Descriptor Annotations

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