3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole

C8H8N2S — CID 70193583

IUPAC3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole
SMILESc1cc(Sc2cc[nH]c2)c[nH]1
InChIInChI=1S/C8H8N2S/c1-3-9-5-7(1)11-8-2-4-10-6-8/h1-6,9-10H
InChIKeyCTKJAAIPURTZOM-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.49
Rot. Bonds2

About 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole

3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole (PubChem CID 70193583) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole
PubChem CID70193583
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole
SMILESc1cc(Sc2cc[nH]c2)c[nH]1
InChIInChI=1S/C8H8N2S/c1-3-9-5-7(1)11-8-2-4-10-6-8/h1-6,9-10H
InChIKeyCTKJAAIPURTZOM-UHFFFAOYSA-N
XLogP2.49
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole?
The IUPAC name of 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole (CID 70193583) is 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole.
What is the SMILES notation for 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole?
The canonical SMILES for 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole is c1cc(Sc2cc[nH]c2)c[nH]1.
What is the InChIKey of 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole?
The InChIKey is CTKJAAIPURTZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-3-9-5-7(1)11-8-2-4-10-6-8/h1-6,9-10H.
What are the key properties of 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole?
3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole has a molecular weight of 164.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-ylsulfanyl)-1H-pyrrole is sourced from PubChem (CID 70193583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).