thiophene-2,5-dicarboxylic acid;dihydrochloride

C6H6Cl2O4S — CID 68502106

IUPACthiophene-2,5-dicarboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H4O4S.2ClH/c7-5(8)3-1-2-4(11-3)6(9)10;;/h1-2H,(H,7,8)(H,9,10);2*1H
InChIKeyBIFIHOWCIYSGJK-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.99
Rot. Bonds2

About thiophene-2,5-dicarboxylic acid;dihydrochloride

thiophene-2,5-dicarboxylic acid;dihydrochloride (PubChem CID 68502106) has the molecular formula C6H6Cl2O4S and a molecular weight of 245.08 g/mol. Its IUPAC name is thiophene-2,5-dicarboxylic acid;dihydrochloride.

Molecular Properties

Compound Namethiophene-2,5-dicarboxylic acid;dihydrochloride
PubChem CID68502106
Molecular FormulaC6H6Cl2O4S
Molecular Weight245.08 g/mol
Exact Mass243.94
IUPAC Namethiophene-2,5-dicarboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H4O4S.2ClH/c7-5(8)3-1-2-4(11-3)6(9)10;;/h1-2H,(H,7,8)(H,9,10);2*1H
InChIKeyBIFIHOWCIYSGJK-UHFFFAOYSA-N
XLogP1.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
CID 71406990
5-(2-methylpropanoyl)thiophene-2-carboxylic acid
CID 59462743
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
4-(4-carboxyphenyl)sulfanylbenzoic acid;thiophene-2,5-dicarboxylic acid
CID 70563110
5-(sulfinoamino)thiophene-2-carboxylic acid
CID 21266032
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
5-[2-(5-carboxythiophen-2-yl)propan-2-yl]thiophene-2-carboxylic acid
CID 6611542
5-(iodomethyl)thiophene-2-carboxylic acid
CID 89145755
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
5-[(E)-N-methoxy-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 14099082
5-[(1R)-1-aminoethyl]thiophene-2-carboxylic acid
CID 58418334

Frequently Asked Questions

What is the IUPAC name of thiophene-2,5-dicarboxylic acid;dihydrochloride?
The IUPAC name of thiophene-2,5-dicarboxylic acid;dihydrochloride (CID 68502106) is thiophene-2,5-dicarboxylic acid;dihydrochloride.
What is the SMILES notation for thiophene-2,5-dicarboxylic acid;dihydrochloride?
The canonical SMILES for thiophene-2,5-dicarboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1ccc(C(=O)O)s1.
What is the InChIKey of thiophene-2,5-dicarboxylic acid;dihydrochloride?
The InChIKey is BIFIHOWCIYSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O4S.2ClH/c7-5(8)3-1-2-4(11-3)6(9)10;;/h1-2H,(H,7,8)(H,9,10);2*1H.
What are the key properties of thiophene-2,5-dicarboxylic acid;dihydrochloride?
thiophene-2,5-dicarboxylic acid;dihydrochloride has a molecular weight of 245.08 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2,5-dicarboxylic acid;dihydrochloride is sourced from PubChem (CID 68502106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).