2-ethylmorpholine-3-thione

C6H11NOS — CID 3052685

IUPAC2-ethylmorpholine-3-thione
SMILESCCC1OCCNC1=S
InChIInChI=1S/C6H11NOS/c1-2-5-6(9)7-3-4-8-5/h5H,2-4H2,1H3,(H,7,9)
InChIKeyILQGKNFFWUCRJB-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.71
Rot. Bonds1

About 2-ethylmorpholine-3-thione

2-ethylmorpholine-3-thione (PubChem CID 3052685) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-ethylmorpholine-3-thione.

Molecular Properties

Compound Name2-ethylmorpholine-3-thione
PubChem CID3052685
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-ethylmorpholine-3-thione
SMILESCCC1OCCNC1=S
InChIInChI=1S/C6H11NOS/c1-2-5-6(9)7-3-4-8-5/h5H,2-4H2,1H3,(H,7,9)
InChIKeyILQGKNFFWUCRJB-UHFFFAOYSA-N
XLogP0.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
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 2-ethylmorpholine-3-thione?
The IUPAC name of 2-ethylmorpholine-3-thione (CID 3052685) is 2-ethylmorpholine-3-thione.
What is the SMILES notation for 2-ethylmorpholine-3-thione?
The canonical SMILES for 2-ethylmorpholine-3-thione is CCC1OCCNC1=S.
What is the InChIKey of 2-ethylmorpholine-3-thione?
The InChIKey is ILQGKNFFWUCRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-5-6(9)7-3-4-8-5/h5H,2-4H2,1H3,(H,7,9).
What are the key properties of 2-ethylmorpholine-3-thione?
2-ethylmorpholine-3-thione has a molecular weight of 145.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylmorpholine-3-thione is sourced from PubChem (CID 3052685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).