Chemical ID: 4604363

C(#N)c1c(c2c(c(sc2s1)C#N)N)N
Chemical ID:
4604363
Name [?]:
2,8-diamino-4,6-dithiabicyclo[3.3.0]octa-2,7,9-triene-3,7-dicarbonitrile
SMILES [?]:
C(#N)c1c(c2c(c(sc2s1)C#N)N)N
InChi [?]:
InChI=1/C8H4N4S2/c9-1-3-6(11)5-7(12)4(2-10)14-8(5)13-3/h11-12H2
InChi Info:
AuxInfo=1/0/N:1,11,3,7,5,4,6,9,2,12,14,13,10,8/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)/rA:14nCNCCCCCSCSCNNN/rB:t1;s1;d3;s4;s5;d6;s7;d5s8;s3s9;s7;t11;s6;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4N4S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.09638
Area:389.032
Solvation:-1.62942
Coulombic:-39.9028
Bond Count [?]
All:15
Single:10
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:220.276
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:0.27
LogP (Chemaxon):0.5

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Descriptor Annotations

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