2-thiophen-2-ylsulfanyl-1H-pyrrole

C8H7NS2 — CID 59848814

IUPAC2-thiophen-2-ylsulfanyl-1H-pyrrole
SMILESc1c[nH]c(Sc2cccs2)c1
InChIInChI=1S/C8H7NS2/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9H
InChIKeyAHZKGOUJNXQCFI-UHFFFAOYSA-N
MW181.29 g/mol
LogP3.23
Rot. Bonds2

About 2-thiophen-2-ylsulfanyl-1H-pyrrole

2-thiophen-2-ylsulfanyl-1H-pyrrole (PubChem CID 59848814) has the molecular formula C8H7NS2 and a molecular weight of 181.29 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanyl-1H-pyrrole.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanyl-1H-pyrrole
PubChem CID59848814
Molecular FormulaC8H7NS2
Molecular Weight181.29 g/mol
Exact Mass181.00
IUPAC Name2-thiophen-2-ylsulfanyl-1H-pyrrole
SMILESc1c[nH]c(Sc2cccs2)c1
InChIInChI=1S/C8H7NS2/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9H
InChIKeyAHZKGOUJNXQCFI-UHFFFAOYSA-N
XLogP3.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanyl-1H-pyrrole?
The IUPAC name of 2-thiophen-2-ylsulfanyl-1H-pyrrole (CID 59848814) is 2-thiophen-2-ylsulfanyl-1H-pyrrole.
What is the SMILES notation for 2-thiophen-2-ylsulfanyl-1H-pyrrole?
The canonical SMILES for 2-thiophen-2-ylsulfanyl-1H-pyrrole is c1c[nH]c(Sc2cccs2)c1.
What is the InChIKey of 2-thiophen-2-ylsulfanyl-1H-pyrrole?
The InChIKey is AHZKGOUJNXQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9H.
What are the key properties of 2-thiophen-2-ylsulfanyl-1H-pyrrole?
2-thiophen-2-ylsulfanyl-1H-pyrrole has a molecular weight of 181.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanyl-1H-pyrrole is sourced from PubChem (CID 59848814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).