4H-thieno[3,2-b]pyrrole-3,6-diol

C6H5NO2S — CID 69288236

IUPAC4H-thieno[3,2-b]pyrrole-3,6-diol
SMILESOc1csc2c(O)c[nH]c12
InChIInChI=1S/C6H5NO2S/c8-3-1-7-5-4(9)2-10-6(3)5/h1-2,7-9H
InChIKeyKZWPXZUOTBNQEJ-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.64
Rot. Bonds

About 4H-thieno[3,2-b]pyrrole-3,6-diol

4H-thieno[3,2-b]pyrrole-3,6-diol (PubChem CID 69288236) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is 4H-thieno[3,2-b]pyrrole-3,6-diol.

Molecular Properties

Compound Name4H-thieno[3,2-b]pyrrole-3,6-diol
PubChem CID69288236
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC Name4H-thieno[3,2-b]pyrrole-3,6-diol
SMILESOc1csc2c(O)c[nH]c12
InChIInChI=1S/C6H5NO2S/c8-3-1-7-5-4(9)2-10-6(3)5/h1-2,7-9H
InChIKeyKZWPXZUOTBNQEJ-UHFFFAOYSA-N
XLogP1.64
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-b]pyrrole-3,6-diol?
The IUPAC name of 4H-thieno[3,2-b]pyrrole-3,6-diol (CID 69288236) is 4H-thieno[3,2-b]pyrrole-3,6-diol.
What is the SMILES notation for 4H-thieno[3,2-b]pyrrole-3,6-diol?
The canonical SMILES for 4H-thieno[3,2-b]pyrrole-3,6-diol is Oc1csc2c(O)c[nH]c12.
What is the InChIKey of 4H-thieno[3,2-b]pyrrole-3,6-diol?
The InChIKey is KZWPXZUOTBNQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S/c8-3-1-7-5-4(9)2-10-6(3)5/h1-2,7-9H.
What are the key properties of 4H-thieno[3,2-b]pyrrole-3,6-diol?
4H-thieno[3,2-b]pyrrole-3,6-diol has a molecular weight of 155.18 g/mol, XLogP of 1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-b]pyrrole-3,6-diol is sourced from PubChem (CID 69288236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).