Chemical ID: 4516400

c1cc(sc1C(=O)O)C(=O)O
Chemical ID:
4516400
Name [?]:
thiophene-2,5-dicarboxylic acid
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)
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:11nCCCSCCOOCOO/rB:s1;d2;s3;d1s4;s5;d6;s6;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4O4S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.59176
Area:324.327
Solvation:-2.51641
Coulombic:-55.0259
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.16
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.13
LogP (Chemaxon):0.24

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