5-pyridin-4-ylthiophene-2-thiol

C9H7NS2 — CID 164530717

IUPAC5-pyridin-4-ylthiophene-2-thiol
SMILESSc1ccc(-c2ccncc2)s1
InChIInChI=1S/C9H7NS2/c11-9-2-1-8(12-9)7-3-5-10-6-4-7/h1-6,11H
InChIKeyZMBVRQUEUSDIOU-UHFFFAOYSA-N
MW193.30 g/mol
LogP3.10
Rot. Bonds1

About 5-pyridin-4-ylthiophene-2-thiol

5-pyridin-4-ylthiophene-2-thiol (PubChem CID 164530717) has the molecular formula C9H7NS2 and a molecular weight of 193.30 g/mol. Its IUPAC name is 5-pyridin-4-ylthiophene-2-thiol.

Molecular Properties

Compound Name5-pyridin-4-ylthiophene-2-thiol
PubChem CID164530717
Molecular FormulaC9H7NS2
Molecular Weight193.30 g/mol
Exact Mass193.00
IUPAC Name5-pyridin-4-ylthiophene-2-thiol
SMILESSc1ccc(-c2ccncc2)s1
InChIInChI=1S/C9H7NS2/c11-9-2-1-8(12-9)7-3-5-10-6-4-7/h1-6,11H
InChIKeyZMBVRQUEUSDIOU-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-pyridin-3-ylthiophene-2-thiol
CID 164530684
4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 23386720
4-(5-ethylsulfonylthiophen-2-yl)pyridine
CID 131909402
2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde
CID 88920036
4-[5-(2H-tetrazol-5-yl)thiophen-2-yl]pyridine
CID 66857019
gold;4-pyridin-4-ylpyridine
CID 159917709
5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde
CID 83383281
2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314021
(Z)-2-fluoro-3-(5-pyridin-4-ylthiophen-2-yl)prop-1-en-1-ol
CID 174475754
5-pyridin-4-ylthiophene-2-carbonyl azide
CID 89407572
ethane;4-pyridin-4-ylpyridine
CID 142013036
4-(2,4,5-tribromothiophen-3-yl)pyridine
CID 15937589

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-ylthiophene-2-thiol?
The IUPAC name of 5-pyridin-4-ylthiophene-2-thiol (CID 164530717) is 5-pyridin-4-ylthiophene-2-thiol.
What is the SMILES notation for 5-pyridin-4-ylthiophene-2-thiol?
The canonical SMILES for 5-pyridin-4-ylthiophene-2-thiol is Sc1ccc(-c2ccncc2)s1.
What is the InChIKey of 5-pyridin-4-ylthiophene-2-thiol?
The InChIKey is ZMBVRQUEUSDIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS2/c11-9-2-1-8(12-9)7-3-5-10-6-4-7/h1-6,11H.
What are the key properties of 5-pyridin-4-ylthiophene-2-thiol?
5-pyridin-4-ylthiophene-2-thiol has a molecular weight of 193.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-ylthiophene-2-thiol is sourced from PubChem (CID 164530717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).