5-methylsulfanyloxy-1H-1,2,4-triazole

C3H5N3OS — CID 121329843

IUPAC5-methylsulfanyloxy-1H-1,2,4-triazole
SMILESCSOc1ncn[nH]1
InChIInChI=1S/C3H5N3OS/c1-8-7-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
InChIKeyHPZHDDUEIFQMCP-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.46
Rot. Bonds2

About 5-methylsulfanyloxy-1H-1,2,4-triazole

5-methylsulfanyloxy-1H-1,2,4-triazole (PubChem CID 121329843) has the molecular formula C3H5N3OS and a molecular weight of 131.16 g/mol. Its IUPAC name is 5-methylsulfanyloxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methylsulfanyloxy-1H-1,2,4-triazole
PubChem CID121329843
Molecular FormulaC3H5N3OS
Molecular Weight131.16 g/mol
Exact Mass131.02
IUPAC Name5-methylsulfanyloxy-1H-1,2,4-triazole
SMILESCSOc1ncn[nH]1
InChIInChI=1S/C3H5N3OS/c1-8-7-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
InChIKeyHPZHDDUEIFQMCP-UHFFFAOYSA-N
XLogP0.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyloxy-1H-1,2,4-triazole?
The IUPAC name of 5-methylsulfanyloxy-1H-1,2,4-triazole (CID 121329843) is 5-methylsulfanyloxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-methylsulfanyloxy-1H-1,2,4-triazole?
The canonical SMILES for 5-methylsulfanyloxy-1H-1,2,4-triazole is CSOc1ncn[nH]1.
What is the InChIKey of 5-methylsulfanyloxy-1H-1,2,4-triazole?
The InChIKey is HPZHDDUEIFQMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3OS/c1-8-7-3-4-2-5-6-3/h2H,1H3,(H,4,5,6).
What are the key properties of 5-methylsulfanyloxy-1H-1,2,4-triazole?
5-methylsulfanyloxy-1H-1,2,4-triazole has a molecular weight of 131.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyloxy-1H-1,2,4-triazole is sourced from PubChem (CID 121329843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).