5-thiophen-2-yl-1H-pyrrole-3-thiol

C8H7NS2 — CID 166153306

IUPAC5-thiophen-2-yl-1H-pyrrole-3-thiol
SMILESSc1c[nH]c(-c2cccs2)c1
InChIInChI=1S/C8H7NS2/c10-6-4-7(9-5-6)8-2-1-3-11-8/h1-5,9-10H
InChIKeyBMISUQVCUDMJCY-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.03
Rot. Bonds1

About 5-thiophen-2-yl-1H-pyrrole-3-thiol

5-thiophen-2-yl-1H-pyrrole-3-thiol (PubChem CID 166153306) has the molecular formula C8H7NS2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-thiophen-2-yl-1H-pyrrole-3-thiol.

Molecular Properties

Compound Name5-thiophen-2-yl-1H-pyrrole-3-thiol
PubChem CID166153306
Molecular FormulaC8H7NS2
Molecular Weight181.28 g/mol
Exact Mass181.00
IUPAC Name5-thiophen-2-yl-1H-pyrrole-3-thiol
SMILESSc1c[nH]c(-c2cccs2)c1
InChIInChI=1S/C8H7NS2/c10-6-4-7(9-5-6)8-2-1-3-11-8/h1-5,9-10H
InChIKeyBMISUQVCUDMJCY-UHFFFAOYSA-N
XLogP3.03
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
CID 53445362
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723
2-(furan-2-yl)-5-thiophen-2-yl-1H-pyrrole
CID 126723370
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627
(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
CID 54273607
thiophene;2-thiophen-2-ylthiophene
CID 158809122
5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
CID 102347965
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1H-pyrrole-3-thiol?
The IUPAC name of 5-thiophen-2-yl-1H-pyrrole-3-thiol (CID 166153306) is 5-thiophen-2-yl-1H-pyrrole-3-thiol.
What is the SMILES notation for 5-thiophen-2-yl-1H-pyrrole-3-thiol?
The canonical SMILES for 5-thiophen-2-yl-1H-pyrrole-3-thiol is Sc1c[nH]c(-c2cccs2)c1.
What is the InChIKey of 5-thiophen-2-yl-1H-pyrrole-3-thiol?
The InChIKey is BMISUQVCUDMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c10-6-4-7(9-5-6)8-2-1-3-11-8/h1-5,9-10H.
What are the key properties of 5-thiophen-2-yl-1H-pyrrole-3-thiol?
5-thiophen-2-yl-1H-pyrrole-3-thiol has a molecular weight of 181.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1H-pyrrole-3-thiol is sourced from PubChem (CID 166153306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).