4H-thieno[3,2-b]pyrrole 1-oxide

C6H5NOS — CID 70541307

IUPAC4H-thieno[3,2-b]pyrrole 1-oxide
SMILESO=S1C=Cc2[nH]ccc21
InChIInChI=1S/C6H5NOS/c8-9-4-2-5-6(9)1-3-7-5/h1-4,7H
InChIKeyBMPLTGPAAPIREJ-UHFFFAOYSA-N
MW139.18 g/mol
LogP1.11
Rot. Bonds

About 4H-thieno[3,2-b]pyrrole 1-oxide

4H-thieno[3,2-b]pyrrole 1-oxide (PubChem CID 70541307) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is 4H-thieno[3,2-b]pyrrole 1-oxide.

Molecular Properties

Compound Name4H-thieno[3,2-b]pyrrole 1-oxide
PubChem CID70541307
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Name4H-thieno[3,2-b]pyrrole 1-oxide
SMILESO=S1C=Cc2[nH]ccc21
InChIInChI=1S/C6H5NOS/c8-9-4-2-5-6(9)1-3-7-5/h1-4,7H
InChIKeyBMPLTGPAAPIREJ-UHFFFAOYSA-N
XLogP1.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4H-thieno[3,2-b]pyrrole 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-b]pyrrole 1-oxide?
The IUPAC name of 4H-thieno[3,2-b]pyrrole 1-oxide (CID 70541307) is 4H-thieno[3,2-b]pyrrole 1-oxide.
What is the SMILES notation for 4H-thieno[3,2-b]pyrrole 1-oxide?
The canonical SMILES for 4H-thieno[3,2-b]pyrrole 1-oxide is O=S1C=Cc2[nH]ccc21.
What is the InChIKey of 4H-thieno[3,2-b]pyrrole 1-oxide?
The InChIKey is BMPLTGPAAPIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS/c8-9-4-2-5-6(9)1-3-7-5/h1-4,7H.
What are the key properties of 4H-thieno[3,2-b]pyrrole 1-oxide?
4H-thieno[3,2-b]pyrrole 1-oxide has a molecular weight of 139.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-b]pyrrole 1-oxide is sourced from PubChem (CID 70541307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).