dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride

C8H10ClNO4S — CID 2808333

IUPACdimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1scc(N)c1C(=O)OC.Cl
InChIInChI=1S/C8H9NO4S.ClH/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2;/h3H,9H2,1-2H3;1H
InChIKeyRETIFGMAGNDLAN-UHFFFAOYSA-N
MW251.69 g/mol
LogP1.33
Rot. Bonds2

About dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride

dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride (PubChem CID 2808333) has the molecular formula C8H10ClNO4S and a molecular weight of 251.69 g/mol. Its IUPAC name is dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namedimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride
PubChem CID2808333
Molecular FormulaC8H10ClNO4S
Molecular Weight251.69 g/mol
Exact Mass251.00
IUPAC Namedimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1scc(N)c1C(=O)OC.Cl
InChIInChI=1S/C8H9NO4S.ClH/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2;/h3H,9H2,1-2H3;1H
InChIKeyRETIFGMAGNDLAN-UHFFFAOYSA-N
XLogP1.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride?
The IUPAC name of dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride (CID 2808333) is dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride.
What is the SMILES notation for dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride?
The canonical SMILES for dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride is COC(=O)c1scc(N)c1C(=O)OC.Cl.
What is the InChIKey of dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride?
The InChIKey is RETIFGMAGNDLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S.ClH/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2;/h3H,9H2,1-2H3;1H.
What are the key properties of dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride?
dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride has a molecular weight of 251.69 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-aminothiophene-2,3-dicarboxylate;hydrochloride is sourced from PubChem (CID 2808333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).