4-(thian-2-yloxy)-1H-pyrazole

C8H12N2OS — CID 117233444

IUPAC4-(thian-2-yloxy)-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCCS1
InChIInChI=1S/C8H12N2OS/c1-2-4-12-8(3-1)11-7-5-9-10-6-7/h5-6,8H,1-4H2,(H,9,10)
InChIKeyZLCPOTUMGPMHRW-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.03
Rot. Bonds2

About 4-(thian-2-yloxy)-1H-pyrazole

4-(thian-2-yloxy)-1H-pyrazole (PubChem CID 117233444) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(thian-2-yloxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(thian-2-yloxy)-1H-pyrazole
PubChem CID117233444
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(thian-2-yloxy)-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCCS1
InChIInChI=1S/C8H12N2OS/c1-2-4-12-8(3-1)11-7-5-9-10-6-7/h5-6,8H,1-4H2,(H,9,10)
InChIKeyZLCPOTUMGPMHRW-UHFFFAOYSA-N
XLogP2.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thian-2-yloxy)-1H-pyrazole?
The IUPAC name of 4-(thian-2-yloxy)-1H-pyrazole (CID 117233444) is 4-(thian-2-yloxy)-1H-pyrazole.
What is the SMILES notation for 4-(thian-2-yloxy)-1H-pyrazole?
The canonical SMILES for 4-(thian-2-yloxy)-1H-pyrazole is c1n[nH]cc1OC1CCCCS1.
What is the InChIKey of 4-(thian-2-yloxy)-1H-pyrazole?
The InChIKey is ZLCPOTUMGPMHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-4-12-8(3-1)11-7-5-9-10-6-7/h5-6,8H,1-4H2,(H,9,10).
What are the key properties of 4-(thian-2-yloxy)-1H-pyrazole?
4-(thian-2-yloxy)-1H-pyrazole has a molecular weight of 184.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-2-yloxy)-1H-pyrazole is sourced from PubChem (CID 117233444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).