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Chemical ID: 4604363
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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