5-(sulfinoamino)thiophene-2-carboxylic acid

C5H5NO4S2 — CID 21266032

IUPAC5-(sulfinoamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)O)s1
InChIInChI=1S/C5H5NO4S2/c7-5(8)3-1-2-4(11-3)6-12(9)10/h1-2,6H,(H,7,8)(H,9,10)
InChIKeyGDPWWQIHPLODOD-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.99
Rot. Bonds3

About 5-(sulfinoamino)thiophene-2-carboxylic acid

5-(sulfinoamino)thiophene-2-carboxylic acid (PubChem CID 21266032) has the molecular formula C5H5NO4S2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(sulfinoamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(sulfinoamino)thiophene-2-carboxylic acid
PubChem CID21266032
Molecular FormulaC5H5NO4S2
Molecular Weight207.23 g/mol
Exact Mass206.97
IUPAC Name5-(sulfinoamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)O)s1
InChIInChI=1S/C5H5NO4S2/c7-5(8)3-1-2-4(11-3)6-12(9)10/h1-2,6H,(H,7,8)(H,9,10)
InChIKeyGDPWWQIHPLODOD-UHFFFAOYSA-N
XLogP0.99
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(sulfinoamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(sulfinoamino)thiophene-2-carboxylic acid (CID 21266032) is 5-(sulfinoamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(sulfinoamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(sulfinoamino)thiophene-2-carboxylic acid is O=C(O)c1ccc(NS(=O)O)s1.
What is the InChIKey of 5-(sulfinoamino)thiophene-2-carboxylic acid?
The InChIKey is GDPWWQIHPLODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4S2/c7-5(8)3-1-2-4(11-3)6-12(9)10/h1-2,6H,(H,7,8)(H,9,10).
What are the key properties of 5-(sulfinoamino)thiophene-2-carboxylic acid?
5-(sulfinoamino)thiophene-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(sulfinoamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 21266032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).