Home > Compound List > Compound details
14756-75-3 molecular structure
click picture or here to close

thieno[2,3-b]thiophene-2-carboxylic acid

ChemBase ID: 101936
Molecular Formular: C7H4O2S2
Molecular Mass: 184.23546
Monoisotopic Mass: 183.96527137
SMILES and InChIs

SMILES:
c12sc(cc1ccs2)C(=O)O
Canonical SMILES:
OC(=O)c1cc2c(s1)scc2
InChI:
InChI=1S/C7H4O2S2/c8-6(9)5-3-4-1-2-10-7(4)11-5/h1-3H,(H,8,9)
InChIKey:
JXHSGSLIUHNKRC-UHFFFAOYSA-N

Cite this record

CBID:101936 http://www.chembase.cn/molecule-101936.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thieno[2,3-b]thiophene-2-carboxylic acid
IUPAC Traditional name
thieno[2,3-b]thiophene-2-carboxylic acid
Synonyms
thieno[2,3-b]thiophene-2-carboxylic acid
CAS Number
14756-75-3
MDL Number
MFCD00111552
PubChem SID
162088175
PubChem CID
2739591

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2739591 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.289109  H Acceptors
H Donor LogD (pH = 5.5) 0.5818529 
LogD (pH = 7.4) -0.6533463  Log P 2.7750385 
Molar Refractivity 42.4687 cm3 Polarizability 16.925611 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
90% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle