2-ethyltetrazolidine-5-thione

C3H8N4S — CID 88708065

IUPAC2-ethyltetrazolidine-5-thione
SMILESCCN1NNC(=S)N1
InChIInChI=1S/C3H8N4S/c1-2-7-5-3(8)4-6-7/h6H,2H2,1H3,(H2,4,5,8)
InChIKeyVWSGUZALDHZIND-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.88
Rot. Bonds1

About 2-ethyltetrazolidine-5-thione

2-ethyltetrazolidine-5-thione (PubChem CID 88708065) has the molecular formula C3H8N4S and a molecular weight of 132.19 g/mol. Its IUPAC name is 2-ethyltetrazolidine-5-thione.

Molecular Properties

Compound Name2-ethyltetrazolidine-5-thione
PubChem CID88708065
Molecular FormulaC3H8N4S
Molecular Weight132.19 g/mol
Exact Mass132.05
IUPAC Name2-ethyltetrazolidine-5-thione
SMILESCCN1NNC(=S)N1
InChIInChI=1S/C3H8N4S/c1-2-7-5-3(8)4-6-7/h6H,2H2,1H3,(H2,4,5,8)
InChIKeyVWSGUZALDHZIND-UHFFFAOYSA-N
XLogP-0.88
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
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 2-ethyltetrazolidine-5-thione?
The IUPAC name of 2-ethyltetrazolidine-5-thione (CID 88708065) is 2-ethyltetrazolidine-5-thione.
What is the SMILES notation for 2-ethyltetrazolidine-5-thione?
The canonical SMILES for 2-ethyltetrazolidine-5-thione is CCN1NNC(=S)N1.
What is the InChIKey of 2-ethyltetrazolidine-5-thione?
The InChIKey is VWSGUZALDHZIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4S/c1-2-7-5-3(8)4-6-7/h6H,2H2,1H3,(H2,4,5,8).
What are the key properties of 2-ethyltetrazolidine-5-thione?
2-ethyltetrazolidine-5-thione has a molecular weight of 132.19 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyltetrazolidine-5-thione is sourced from PubChem (CID 88708065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).