Chemical ID: 6510603

c1cc(sc1C(=O)[O-])C(=O)[O-]
Chemical ID:
6510603
Name [?]:
thiophene-2,5-dicarboxylate
SMILES [?]:
c1cc(sc1C(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,5,3,6,9,7,8,10,11,4/E:(1,2)(3,4)(5,6)(7,8,9,10)/gE:(1,2)/rA:11nCCCSCCOO-COO-/rB:s1;d2;s3;d1s4;s5;d6;s6;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H2O4S-2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-100.451
Area:320.384
Solvation:-108.46
Coulombic:21.8153
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:170.144
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-1.1
LogP (Chemaxon):0.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue