1-ethyl-1,2,4-triazolidine-3,5-dithione

C4H7N3S2 — CID 23330707

IUPAC1-ethyl-1,2,4-triazolidine-3,5-dithione
SMILESCCn1[nH]c(=S)[nH]c1=S
InChIInChI=1S/C4H7N3S2/c1-2-7-4(9)5-3(8)6-7/h2H2,1H3,(H2,5,6,8,9)
InChIKeyFWOVGNAZOFNXHH-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.62
Rot. Bonds1

About 1-ethyl-1,2,4-triazolidine-3,5-dithione

1-ethyl-1,2,4-triazolidine-3,5-dithione (PubChem CID 23330707) has the molecular formula C4H7N3S2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethyl-1,2,4-triazolidine-3,5-dithione.

Molecular Properties

Compound Name1-ethyl-1,2,4-triazolidine-3,5-dithione
PubChem CID23330707
Molecular FormulaC4H7N3S2
Molecular Weight161.25 g/mol
Exact Mass161.01
IUPAC Name1-ethyl-1,2,4-triazolidine-3,5-dithione
SMILESCCn1[nH]c(=S)[nH]c1=S
InChIInChI=1S/C4H7N3S2/c1-2-7-4(9)5-3(8)6-7/h2H2,1H3,(H2,5,6,8,9)
InChIKeyFWOVGNAZOFNXHH-UHFFFAOYSA-N
XLogP1.62
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,4-triazolidine-3,5-dithione?
The IUPAC name of 1-ethyl-1,2,4-triazolidine-3,5-dithione (CID 23330707) is 1-ethyl-1,2,4-triazolidine-3,5-dithione.
What is the SMILES notation for 1-ethyl-1,2,4-triazolidine-3,5-dithione?
The canonical SMILES for 1-ethyl-1,2,4-triazolidine-3,5-dithione is CCn1[nH]c(=S)[nH]c1=S.
What is the InChIKey of 1-ethyl-1,2,4-triazolidine-3,5-dithione?
The InChIKey is FWOVGNAZOFNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S2/c1-2-7-4(9)5-3(8)6-7/h2H2,1H3,(H2,5,6,8,9).
What are the key properties of 1-ethyl-1,2,4-triazolidine-3,5-dithione?
1-ethyl-1,2,4-triazolidine-3,5-dithione has a molecular weight of 161.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,4-triazolidine-3,5-dithione is sourced from PubChem (CID 23330707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).