5-pyrazol-1-ylthiophene-2-thiol

C7H6N2S2 — CID 70532458

IUPAC5-pyrazol-1-ylthiophene-2-thiol
SMILESSc1ccc(-n2cccn2)s1
InChIInChI=1S/C7H6N2S2/c10-7-3-2-6(11-7)9-5-1-4-8-9/h1-5,10H
InChIKeyHWFKFRDEQJFSKW-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.22
Rot. Bonds1

About 5-pyrazol-1-ylthiophene-2-thiol

5-pyrazol-1-ylthiophene-2-thiol (PubChem CID 70532458) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-pyrazol-1-ylthiophene-2-thiol.

Molecular Properties

Compound Name5-pyrazol-1-ylthiophene-2-thiol
PubChem CID70532458
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name5-pyrazol-1-ylthiophene-2-thiol
SMILESSc1ccc(-n2cccn2)s1
InChIInChI=1S/C7H6N2S2/c10-7-3-2-6(11-7)9-5-1-4-8-9/h1-5,10H
InChIKeyHWFKFRDEQJFSKW-UHFFFAOYSA-N
XLogP2.22
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-thienyl)pyrazole
CID 11480538
1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
1-{5-nitro-2-thienyl}-1H-pyrazole
CID 901424
2-Bromo-5-(2-pyrazolyl)thiophene
CID 12554491
Pyrrolo[2,1-b][1,3,4]thiadiazole
CID 59421469
4-(Chloromethyl)-1-thiophen-2-ylpyrazole
CID 59759400
1-(Thiophen-3-ylmethyl)pyrazole
CID 63812394
4-iodo-5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207269

Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-ylthiophene-2-thiol?
The IUPAC name of 5-pyrazol-1-ylthiophene-2-thiol (CID 70532458) is 5-pyrazol-1-ylthiophene-2-thiol.
What is the SMILES notation for 5-pyrazol-1-ylthiophene-2-thiol?
The canonical SMILES for 5-pyrazol-1-ylthiophene-2-thiol is Sc1ccc(-n2cccn2)s1.
What is the InChIKey of 5-pyrazol-1-ylthiophene-2-thiol?
The InChIKey is HWFKFRDEQJFSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c10-7-3-2-6(11-7)9-5-1-4-8-9/h1-5,10H.
What are the key properties of 5-pyrazol-1-ylthiophene-2-thiol?
5-pyrazol-1-ylthiophene-2-thiol has a molecular weight of 182.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-ylthiophene-2-thiol is sourced from PubChem (CID 70532458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).