5-cyclopentyl-1,3,5-triazinane-2-thione

C8H15N3S — CID 2824035

IUPAC5-cyclopentyl-1,3,5-triazinane-2-thione
SMILESS=C1NCN(C2CCCC2)CN1
InChIInChI=1S/C8H15N3S/c12-8-9-5-11(6-10-8)7-3-1-2-4-7/h7H,1-6H2,(H2,9,10,12)
InChIKeyCYIWGDYXOHTXCO-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.62
Rot. Bonds1

About 5-cyclopentyl-1,3,5-triazinane-2-thione

5-cyclopentyl-1,3,5-triazinane-2-thione (PubChem CID 2824035) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-cyclopentyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-cyclopentyl-1,3,5-triazinane-2-thione
PubChem CID2824035
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-cyclopentyl-1,3,5-triazinane-2-thione
SMILESS=C1NCN(C2CCCC2)CN1
InChIInChI=1S/C8H15N3S/c12-8-9-5-11(6-10-8)7-3-1-2-4-7/h7H,1-6H2,(H2,9,10,12)
InChIKeyCYIWGDYXOHTXCO-UHFFFAOYSA-N
XLogP0.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-cyclopentyl-1,3,5-triazinane-2-thione?
The IUPAC name of 5-cyclopentyl-1,3,5-triazinane-2-thione (CID 2824035) is 5-cyclopentyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-cyclopentyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-cyclopentyl-1,3,5-triazinane-2-thione is S=C1NCN(C2CCCC2)CN1.
What is the InChIKey of 5-cyclopentyl-1,3,5-triazinane-2-thione?
The InChIKey is CYIWGDYXOHTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c12-8-9-5-11(6-10-8)7-3-1-2-4-7/h7H,1-6H2,(H2,9,10,12).
What are the key properties of 5-cyclopentyl-1,3,5-triazinane-2-thione?
5-cyclopentyl-1,3,5-triazinane-2-thione has a molecular weight of 185.30 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 2824035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).