chempirical

3,4-Dimethylthieno(2,3-b)thiophene-2,5-dicarboxylic acid

C10H8O4S2CAS 175202-55-8256.29 g/mol

Open in Covalent MOL file
SSOOHOOH
Carboxylic acid

Properties

Molecular formula
C10H8O4S2
Molar mass
256.29 g/mol
Exact mass
255.9864 Da
logP
2.98Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
175202-55-8
SMILES
CC1=C(SC2=C1C(=C(S2)C(=O)O)C)C(=O)O
InChIKey
JARLNIWLMPUVAR-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4S2/c1-3-5-4(2)7(9(13)14)16-10(5)15-6(3)8(11)12/h1-2H3,(H,11,12)(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3,4-Dimethylthieno[2,3-B]thiophene-2,5-dicarboxylic acid

Work with 3,4-Dimethylthieno(2,3-b)thiophene-2,5-dicarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-244 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-642 % similar 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-041 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-841 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-040 % similar 2,3,5,6-Tetrafluoro-4-methylbenzoic acid652-32-439 % similar 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid117724-63-738 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook