Thieno(3,2-b)thiophene-2-carboxylic acid
Basic information
- CAS
1723-27-9- Standard SMILES
O=C(O)c1cc2sccc2s1- InChIKey
GVZXSZWCZGKLRS-UHFFFAOYSA-N- Molecular formula
- C7H4O2S2
- Average molar mass
- 184.2 g/mol
- Monoisotopic mass
- 183.96527171
Overview
Thieno[3,2-b]thiophene-2-carboxylic acid is a thienothiophene.
Names & identifiers
- Preferred name
- Thieno(3,2-b)thiophene-2-carboxylic acid
- IUPAC
- thieno[3,2-b]thiophene-5-carboxylic acid
- English name
- Thieno[3,2-b]thiophene-2-carboxylic acid
- Molecular formula
- C7H4O2S2
- Molecular weight
- 184.24
Names & synonyms
Thieno[3,2-b]thiophene-2-carboxylic acid1723-27-9DTXSID90349773Thieno(3,2-b)thiophene-2-carboxylic acidRefChem:384993DTXCID30300843674-358-7GVZXSZWCZGKLRS-UHFFFAOYSA-Nthieno[3,2-b]thiophene-5-carboxylic acidThieno[3,2-b]thiophene-2-carboxylicacidMFCD00115174MLS000036934
Show more names
BTH-COOHBUTTPARK 145\50-55hieno[3,2-b]thiophene-5-carboxylicaciThieno[3,2-b]thiophene-2-carboxylic acid 95+%THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID ISO 9001：2015 REACH
SCHEMBL335232thienothiophene carboxylic acidthiopheno[3,2-b]thiophene-2-carboxylic acidBDBM48329CHEBI:195115HMS2316P13SMR000034684NUK
Database identifiers
- CAS
1723-27-9- PubChem CID
- 660319
- DTXSID
DTXSID90349773- ChEMBL
CHEMBL1173787- ChEBI
CHEBI:195115- EC Number
- 674-358-7
- Nikkaji
- J906.512A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 225 · 225-227
- Boiling point
- 386.7 · 386.7±22.0 °C(Predicted)
- Density
- 1.601 · 1.601±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- powder to crystal
- pka
- 3.4 · 3.40±0.30(Predicted)
- color
- White to Yellow to Green
- InChI
- InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
- InChIKey
- GVZXSZWCZGKLRS-UHFFFAOYSA-N
- SMILES
- C12C=CSC=1C=C(C(O)=O)S2
- CAS DataBase Reference
- 1723 · 1723-27-9(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (40%)
Safety data
- wgk
- WGK 3
- hs_code
- 29349990
- risk_code
- 36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H315
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesThieno[3,2-b]thiophene-2-carboxylic Acid has been used as a reactant for versatile α,ω-disubstituted tetratienoacene semiconductors for high performance organic thin-film transistors.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Thieno[3,2-b]thiophene-2-carboxylic acid is a thienothiophene.
Suppliers
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Related reactions
3 records
Compound notes
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