3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole

C6H10N2OS2 — CID 131206873

IUPAC3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole
SMILESCCc1nsc(SCOC)n1
InChIInChI=1S/C6H10N2OS2/c1-3-5-7-6(11-8-5)10-4-9-2/h3-4H2,1-2H3
InChIKeyLVIHLDKMIMLNHX-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.80
Rot. Bonds4

About 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole

3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole (PubChem CID 131206873) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole
PubChem CID131206873
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole
SMILESCCc1nsc(SCOC)n1
InChIInChI=1S/C6H10N2OS2/c1-3-5-7-6(11-8-5)10-4-9-2/h3-4H2,1-2H3
InChIKeyLVIHLDKMIMLNHX-UHFFFAOYSA-N
XLogP1.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole (CID 131206873) is 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole is CCc1nsc(SCOC)n1.
What is the InChIKey of 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is LVIHLDKMIMLNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-3-5-7-6(11-8-5)10-4-9-2/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole?
3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 190.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 131206873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).