Chemical ID: 4606529

C1CCc2c(c3c(nc(=S)[nH]c3s2)N)C1
Chemical ID:
4606529
Name [?]:
None
SMILES [?]:
C1CCc2c(c3c(nc(=S)[nH]c3s2)N)C1
InChi [?]:
InChI=1/C10H11N3S2/c11-8-7-5-3-1-2-4-6(5)15-9(7)13-10(14)12-8/h1-4H2,(H3,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,15,3,5,4,6,7,12,9,14,8,11,10,13/rA:15nCCCCCCCNCSNCSNC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;s4s12;s7;s1s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N3S2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.67912
Area:381.783
Solvation:-0.865455
Coulombic:-35.4879
Bond Count [?]
All:17
Single:13
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:237.347
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.66
LogP (Chemaxon):2.93

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Experimental Annotations

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Descriptor Annotations

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