3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole

C8H8N2S2 — CID 2807383

IUPAC3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole
SMILESCSc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C8H8N2S2/c1-11-8-5-6(9-10-8)7-3-2-4-12-7/h2-5H,1H3,(H,9,10)
InChIKeyLLFJWOAMSXUIIU-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.86
Rot. Bonds2

About 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole

3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole (PubChem CID 2807383) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole
PubChem CID2807383
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole
SMILESCSc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C8H8N2S2/c1-11-8-5-6(9-10-8)7-3-2-4-12-7/h2-5H,1H3,(H,9,10)
InChIKeyLLFJWOAMSXUIIU-UHFFFAOYSA-N
XLogP2.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole (CID 2807383) is 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole is CSc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
The InChIKey is LLFJWOAMSXUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-11-8-5-6(9-10-8)7-3-2-4-12-7/h2-5H,1H3,(H,9,10).
What are the key properties of 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole has a molecular weight of 196.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 2807383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).