thiophene-2-carboxylic acid;dihydrochloride

C5H6Cl2O2S — CID 142681507

IUPACthiophene-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.2ClH/c6-5(7)4-2-1-3-8-4;;/h1-3H,(H,6,7);2*1H
InChIKeyKTAVFFIXRVQOOM-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.29
Rot. Bonds1

About thiophene-2-carboxylic acid;dihydrochloride

thiophene-2-carboxylic acid;dihydrochloride (PubChem CID 142681507) has the molecular formula C5H6Cl2O2S and a molecular weight of 201.07 g/mol. Its IUPAC name is thiophene-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Namethiophene-2-carboxylic acid;dihydrochloride
PubChem CID142681507
Molecular FormulaC5H6Cl2O2S
Molecular Weight201.07 g/mol
Exact Mass199.95
IUPAC Namethiophene-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.2ClH/c6-5(7)4-2-1-3-8-4;;/h1-3H,(H,6,7);2*1H
InChIKeyKTAVFFIXRVQOOM-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiophene-2-carboxylic acid;dihydrochloride?
The IUPAC name of thiophene-2-carboxylic acid;dihydrochloride (CID 142681507) is thiophene-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for thiophene-2-carboxylic acid;dihydrochloride?
The canonical SMILES for thiophene-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1cccs1.
What is the InChIKey of thiophene-2-carboxylic acid;dihydrochloride?
The InChIKey is KTAVFFIXRVQOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S.2ClH/c6-5(7)4-2-1-3-8-4;;/h1-3H,(H,6,7);2*1H.
What are the key properties of thiophene-2-carboxylic acid;dihydrochloride?
thiophene-2-carboxylic acid;dihydrochloride has a molecular weight of 201.07 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 142681507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).