1-ethyl-5-methylpyrazole-4-thiol

C6H10N2S — CID 66098686

IUPAC1-ethyl-5-methylpyrazole-4-thiol
SMILESCCn1ncc(S)c1C
InChIInChI=1S/C6H10N2S/c1-3-8-5(2)6(9)4-7-8/h4,9H,3H2,1-2H3
InChIKeyDCGMHACKHCYVOB-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.50
Rot. Bonds1

About 1-ethyl-5-methylpyrazole-4-thiol

1-ethyl-5-methylpyrazole-4-thiol (PubChem CID 66098686) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1-ethyl-5-methylpyrazole-4-thiol.

Molecular Properties

Compound Name1-ethyl-5-methylpyrazole-4-thiol
PubChem CID66098686
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1-ethyl-5-methylpyrazole-4-thiol
SMILESCCn1ncc(S)c1C
InChIInChI=1S/C6H10N2S/c1-3-8-5(2)6(9)4-7-8/h4,9H,3H2,1-2H3
InChIKeyDCGMHACKHCYVOB-UHFFFAOYSA-N
XLogP1.50
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylpyrazole-4-thiol?
The IUPAC name of 1-ethyl-5-methylpyrazole-4-thiol (CID 66098686) is 1-ethyl-5-methylpyrazole-4-thiol.
What is the SMILES notation for 1-ethyl-5-methylpyrazole-4-thiol?
The canonical SMILES for 1-ethyl-5-methylpyrazole-4-thiol is CCn1ncc(S)c1C.
What is the InChIKey of 1-ethyl-5-methylpyrazole-4-thiol?
The InChIKey is DCGMHACKHCYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-8-5(2)6(9)4-7-8/h4,9H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methylpyrazole-4-thiol?
1-ethyl-5-methylpyrazole-4-thiol has a molecular weight of 142.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylpyrazole-4-thiol is sourced from PubChem (CID 66098686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).