2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole

C8H8N2S2 — CID 20587214

IUPAC2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole
SMILESc1c[nH]c(SSc2ccc[nH]2)c1
InChIInChI=1S/C8H8N2S2/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9-10H
InChIKeyVKSKKZRQYFJCRZ-UHFFFAOYSA-N
MW196.30 g/mol
LogP3.14
Rot. Bonds3

About 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole

2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole (PubChem CID 20587214) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole
PubChem CID20587214
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole
SMILESc1c[nH]c(SSc2ccc[nH]2)c1
InChIInChI=1S/C8H8N2S2/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9-10H
InChIKeyVKSKKZRQYFJCRZ-UHFFFAOYSA-N
XLogP3.14
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole?
The IUPAC name of 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole (CID 20587214) is 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole.
What is the SMILES notation for 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole?
The canonical SMILES for 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole is c1c[nH]c(SSc2ccc[nH]2)c1.
What is the InChIKey of 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole?
The InChIKey is VKSKKZRQYFJCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9-10H.
What are the key properties of 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole?
2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole has a molecular weight of 196.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yldisulfanyl)-1H-pyrrole is sourced from PubChem (CID 20587214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).