6aH-thieno[2,3-b]pyrrole

C6H5NS — CID 123991282

IUPAC6aH-thieno[2,3-b]pyrrole
SMILESC1=CC2=CC=NC2S1
InChIInChI=1S/C6H5NS/c1-3-7-6-5(1)2-4-8-6/h1-4,6H
InChIKeyKJMJGHOPKPUVLV-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.58
Rot. Bonds

About 6aH-thieno[2,3-b]pyrrole

6aH-thieno[2,3-b]pyrrole (PubChem CID 123991282) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 6aH-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name6aH-thieno[2,3-b]pyrrole
PubChem CID123991282
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name6aH-thieno[2,3-b]pyrrole
SMILESC1=CC2=CC=NC2S1
InChIInChI=1S/C6H5NS/c1-3-7-6-5(1)2-4-8-6/h1-4,6H
InChIKeyKJMJGHOPKPUVLV-UHFFFAOYSA-N
XLogP1.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6aH-thieno[2,3-b]pyrrole?
The IUPAC name of 6aH-thieno[2,3-b]pyrrole (CID 123991282) is 6aH-thieno[2,3-b]pyrrole.
What is the SMILES notation for 6aH-thieno[2,3-b]pyrrole?
The canonical SMILES for 6aH-thieno[2,3-b]pyrrole is C1=CC2=CC=NC2S1.
What is the InChIKey of 6aH-thieno[2,3-b]pyrrole?
The InChIKey is KJMJGHOPKPUVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-3-7-6-5(1)2-4-8-6/h1-4,6H.
What are the key properties of 6aH-thieno[2,3-b]pyrrole?
6aH-thieno[2,3-b]pyrrole has a molecular weight of 123.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6aH-thieno[2,3-b]pyrrole is sourced from PubChem (CID 123991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).