4-(thian-3-yloxy)-1H-pyrazole

C8H12N2OS — CID 117233426

IUPAC4-(thian-3-yloxy)-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCSC1
InChIInChI=1S/C8H12N2OS/c1-2-7(6-12-3-1)11-8-4-9-10-5-8/h4-5,7H,1-3,6H2,(H,9,10)
InChIKeyORWFZWMQHUXCQG-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.68
Rot. Bonds2

About 4-(thian-3-yloxy)-1H-pyrazole

4-(thian-3-yloxy)-1H-pyrazole (PubChem CID 117233426) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(thian-3-yloxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(thian-3-yloxy)-1H-pyrazole
PubChem CID117233426
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(thian-3-yloxy)-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCSC1
InChIInChI=1S/C8H12N2OS/c1-2-7(6-12-3-1)11-8-4-9-10-5-8/h4-5,7H,1-3,6H2,(H,9,10)
InChIKeyORWFZWMQHUXCQG-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thian-3-yloxy)-1H-pyrazole?
The IUPAC name of 4-(thian-3-yloxy)-1H-pyrazole (CID 117233426) is 4-(thian-3-yloxy)-1H-pyrazole.
What is the SMILES notation for 4-(thian-3-yloxy)-1H-pyrazole?
The canonical SMILES for 4-(thian-3-yloxy)-1H-pyrazole is c1n[nH]cc1OC1CCCSC1.
What is the InChIKey of 4-(thian-3-yloxy)-1H-pyrazole?
The InChIKey is ORWFZWMQHUXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-7(6-12-3-1)11-8-4-9-10-5-8/h4-5,7H,1-3,6H2,(H,9,10).
What are the key properties of 4-(thian-3-yloxy)-1H-pyrazole?
4-(thian-3-yloxy)-1H-pyrazole has a molecular weight of 184.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-3-yloxy)-1H-pyrazole is sourced from PubChem (CID 117233426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).