2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid

C7H2Cl2O2S2 — CID 117061645

IUPAC2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid
SMILESO=C(O)c1sc2sc(Cl)cc2c1Cl
InChIInChI=1S/C7H2Cl2O2S2/c8-3-1-2-4(9)5(6(10)11)13-7(2)12-3/h1H,(H,10,11)
InChIKeyYQLDASRFXWVJKA-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.97
Rot. Bonds1

About 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid

2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid (PubChem CID 117061645) has the molecular formula C7H2Cl2O2S2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid
PubChem CID117061645
Molecular FormulaC7H2Cl2O2S2
Molecular Weight253.13 g/mol
Exact Mass251.89
IUPAC Name2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid
SMILESO=C(O)c1sc2sc(Cl)cc2c1Cl
InChIInChI=1S/C7H2Cl2O2S2/c8-3-1-2-4(9)5(6(10)11)13-7(2)12-3/h1H,(H,10,11)
InChIKeyYQLDASRFXWVJKA-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-benzothiophene-2-carboxylic acid;hydrochloride
CID 69253598
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
CID 904005
5-butoxy-3-chloro-1-benzothiophene-2-carboxylic acid
CID 84750761
3,4-dichloro-5-methylthiophene-2-carboxylic acid
CID 54332339
3-chloro-5-ethoxy-6-(2-methylpropoxy)-1-benzothiophene-2-carboxylic acid
CID 82177287
3-chloro-4,5-difluorothiophene-2-carboxylic acid
CID 126749950
1-(3,5-dichlorothiophen-2-yl)ethanone
CID 22143064
3,5-dichloro-4-methylthiophene-2-carboxylic acid
CID 170992349
3,4,7-trichloro-1-benzothiophene-2-carboxylic acid
CID 16770185
2-chloro-4-sulfanyl-1-benzothiophene-7-carboxylic acid
CID 130970849
3-chloro-6-(diethoxymethyl)-1-benzothiophene-2-carboxylic acid
CID 91756295
4,5-dichloro-3-hydroxythiophene-2-carboxylic acid
CID 101043831

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid?
The IUPAC name of 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid (CID 117061645) is 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid?
The canonical SMILES for 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid is O=C(O)c1sc2sc(Cl)cc2c1Cl.
What is the InChIKey of 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid?
The InChIKey is YQLDASRFXWVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2O2S2/c8-3-1-2-4(9)5(6(10)11)13-7(2)12-3/h1H,(H,10,11).
What are the key properties of 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid?
2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid has a molecular weight of 253.13 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorothieno[2,3-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 117061645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).