Thieno[3,2-b][1]benzothiophene-2-carboxylic acid
Basic information
- CAS
30376-45-5- Standard SMILES
O=C(O)c1cc2sc3ccccc3c2s1- InChIKey
HJMXTNQVXZTBHZ-UHFFFAOYSA-N- Molecular formula
- C11H6O2S2
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 233.98092178
Overview
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Names & identifiers
- Preferred name
- Thieno[3,2-b][1]benzothiophene-2-carboxylic acid
- IUPAC
- thieno[3,2-b][1]benzothiole-2-carboxylic acid
- English name
- Hexanedioic acid, polymer with 1,3-butanediol and 1,6-hexanediol
- Molecular formula
- C16H34O8
- Molecular weight
- 354.44
Names & synonyms
thieno[3,2-b][1]benzothiophene-2-carboxylic acid30126-05-7THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLICACIDthieno[3,2-b][1]benzothiole-2-carboxylic acidMFCD01927335AI-942/13331411SCHEMBL513104CHEMBL5573194C11H6O2S2DTXSID20952719WLZ4068HJMXTNQVXZTBHZ-UHFFFAOYSA-N
Show more names
Hexanedioic acid, polymer with 1,3-butanediol and 1,6-hexanediol
SBB098275AKOS0012817922-carboxy-thieno[3,2-b]-benzothiophenNCGC00335155-01AS-86642CS-0234685EN300-14571F87881
Database identifiers
- CAS
30376-45-5- PubChem CID
- 901504
- DTXSID
DTXSID20952719- ChEMBL
CHEMBL5573194
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- EPA Substance Registry System
- 1 · Hexanedioic acid, polymer with 1,3-butanediol and 1,6-hexanediol (30376-45-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
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Compound notes
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