5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione

C8H15N3S — CID 22758603

IUPAC5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione
SMILESC=CCN1CN(CC)CNC1=S
InChIInChI=1S/C8H15N3S/c1-3-5-11-7-10(4-2)6-9-8(11)12/h3H,1,4-7H2,2H3,(H,9,12)
InChIKeyIMGNTZPTLUMYCS-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.60
Rot. Bonds3

About 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione

5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione (PubChem CID 22758603) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione
PubChem CID22758603
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione
SMILESC=CCN1CN(CC)CNC1=S
InChIInChI=1S/C8H15N3S/c1-3-5-11-7-10(4-2)6-9-8(11)12/h3H,1,4-7H2,2H3,(H,9,12)
InChIKeyIMGNTZPTLUMYCS-UHFFFAOYSA-N
XLogP0.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione?
The IUPAC name of 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione (CID 22758603) is 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione is C=CCN1CN(CC)CNC1=S.
What is the InChIKey of 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione?
The InChIKey is IMGNTZPTLUMYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-5-11-7-10(4-2)6-9-8(11)12/h3H,1,4-7H2,2H3,(H,9,12).
What are the key properties of 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione?
5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione has a molecular weight of 185.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-prop-2-enyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 22758603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).