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Chemical ID: 4997154
Chemical ID:
4997154
Name [?]:
2-amino-9-propyl-purine-6-thiol
SMILES [?]:
CCCn1cnc2c1nc(nc2S)N
InChi [?]:
InChI=1/C8H11N5S/c1-2-3-13-4-10-5-6(13)11-8(9)12-7(5)14/h4H,2-3H2,1H3,(H3,9,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,5,7,8,12,10,14,6,9,11,4,13/rA:14nCCCNCNCCNCNCSN/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N5S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96411 |
Area: | 379.988 |
Solvation: | -1.53558 |
Coulombic: | -42.6164 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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