5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole

C11H12N2S2 — CID 154572777

IUPAC5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole
SMILESc1cc(-c2ccc(C3CCCS3)s2)[nH]n1
InChIInChI=1S/C11H12N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h3-6,10H,1-2,7H2,(H,12,13)
InChIKeyAIBYJFLSBLCAES-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.71
Rot. Bonds2

About 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole

5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole (PubChem CID 154572777) has the molecular formula C11H12N2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole
PubChem CID154572777
Molecular FormulaC11H12N2S2
Molecular Weight236.36 g/mol
Exact Mass236.04
IUPAC Name5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole
SMILESc1cc(-c2ccc(C3CCCS3)s2)[nH]n1
InChIInChI=1S/C11H12N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h3-6,10H,1-2,7H2,(H,12,13)
InChIKeyAIBYJFLSBLCAES-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole (CID 154572777) is 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole is c1cc(-c2ccc(C3CCCS3)s2)[nH]n1.
What is the InChIKey of 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole?
The InChIKey is AIBYJFLSBLCAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h3-6,10H,1-2,7H2,(H,12,13).
What are the key properties of 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole?
5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole has a molecular weight of 236.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(thiolan-2-yl)thiophen-2-yl]-1H-pyrazole is sourced from PubChem (CID 154572777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).