Chemical ID: 5021359

c1[nH]c2c(n1)c(nc(n2)S)N
Chemical ID:
5021359
Name [?]:
6-amino-9H-purine-2-thiol
SMILES [?]:
c1[nH]c2c(n1)c(nc(n2)S)N
InChi [?]:
InChI=1/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,6,3,8,11,5,2,7,9,10/rA:11nCNCCNCNCNSN/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s8;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.21453
Area:309.343
Solvation:-1.51905
Coulombic:-46.542
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):0.41

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Descriptor Annotations

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