4-methylthieno[3,2-b]pyrrole-3,6-diol

C7H7NO2S — CID 69291486

IUPAC4-methylthieno[3,2-b]pyrrole-3,6-diol
SMILESCn1cc(O)c2scc(O)c21
InChIInChI=1S/C7H7NO2S/c1-8-2-4(9)7-6(8)5(10)3-11-7/h2-3,9-10H,1H3
InChIKeyRCXSPBOTTLKURS-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.65
Rot. Bonds

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

4-methylthieno[3,2-b]pyrrole-3,6-diol (PubChem CID 69291486) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 4-methylthieno[3,2-b]pyrrole-3,6-diol.

Molecular Properties

Compound Name4-methylthieno[3,2-b]pyrrole-3,6-diol
PubChem CID69291486
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name4-methylthieno[3,2-b]pyrrole-3,6-diol
SMILESCn1cc(O)c2scc(O)c21
InChIInChI=1S/C7H7NO2S/c1-8-2-4(9)7-6(8)5(10)3-11-7/h2-3,9-10H,1H3
InChIKeyRCXSPBOTTLKURS-UHFFFAOYSA-N
XLogP1.65
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methylthieno[3,2-b]pyrrole-3,6-diol?
The IUPAC name of 4-methylthieno[3,2-b]pyrrole-3,6-diol (CID 69291486) is 4-methylthieno[3,2-b]pyrrole-3,6-diol.
What is the SMILES notation for 4-methylthieno[3,2-b]pyrrole-3,6-diol?
The canonical SMILES for 4-methylthieno[3,2-b]pyrrole-3,6-diol is Cn1cc(O)c2scc(O)c21.
What is the InChIKey of 4-methylthieno[3,2-b]pyrrole-3,6-diol?
The InChIKey is RCXSPBOTTLKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-8-2-4(9)7-6(8)5(10)3-11-7/h2-3,9-10H,1H3.
What are the key properties of 4-methylthieno[3,2-b]pyrrole-3,6-diol?
4-methylthieno[3,2-b]pyrrole-3,6-diol has a molecular weight of 169.21 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthieno[3,2-b]pyrrole-3,6-diol is sourced from PubChem (CID 69291486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).