Chemical ID: 6624140

c1c2c(cc(s2)C(=O)O)sc1C(=O)O
Chemical ID:
6624140
Name [?]:
2,6-dithiabicyclo[3.3.0]octa-3,7,9-triene-3,7-dicarboxylic acid
SMILES [?]:
c1c2c(cc(s2)C(=O)O)sc1C(=O)O
InChi [?]:
InChI=1/C8H4O4S2/c9-7(10)5-1-3-4(14-5)2-6(13-3)8(11)12/h1-2H,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,11,5,12,7,13,14,8,9,6,10/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14)/gE:(1,2)/rA:14nCCCCCSCOOSCCOO/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s3;d1s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4O4S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.03791
Area:382.918
Solvation:-2.53504
Coulombic:-55.1588
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.247
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.15
LogP (Chemaxon):1.66

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