(2-ethoxyphenyl)-morpholin-4-ylmethanethione

C13H17NO2S — CID 970600

IUPAC(2-ethoxyphenyl)-morpholin-4-ylmethanethione
SMILESCCOc1ccccc1C(=S)N1CCOCC1
InChIInChI=1S/C13H17NO2S/c1-2-16-12-6-4-3-5-11(12)13(17)14-7-9-15-10-8-14/h3-6H,2,7-10H2,1H3
InChIKeyYFUKAGKJCHXTSE-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.09
Rot. Bonds3

About (2-ethoxyphenyl)-morpholin-4-ylmethanethione

(2-ethoxyphenyl)-morpholin-4-ylmethanethione (PubChem CID 970600) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (2-ethoxyphenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(2-ethoxyphenyl)-morpholin-4-ylmethanethione
PubChem CID970600
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(2-ethoxyphenyl)-morpholin-4-ylmethanethione
SMILESCCOc1ccccc1C(=S)N1CCOCC1
InChIInChI=1S/C13H17NO2S/c1-2-16-12-6-4-3-5-11(12)13(17)14-7-9-15-10-8-14/h3-6H,2,7-10H2,1H3
InChIKeyYFUKAGKJCHXTSE-UHFFFAOYSA-N
XLogP2.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
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-ethoxyphenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (2-ethoxyphenyl)-morpholin-4-ylmethanethione (CID 970600) is (2-ethoxyphenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (2-ethoxyphenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (2-ethoxyphenyl)-morpholin-4-ylmethanethione is CCOc1ccccc1C(=S)N1CCOCC1.
What is the InChIKey of (2-ethoxyphenyl)-morpholin-4-ylmethanethione?
The InChIKey is YFUKAGKJCHXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-2-16-12-6-4-3-5-11(12)13(17)14-7-9-15-10-8-14/h3-6H,2,7-10H2,1H3.
What are the key properties of (2-ethoxyphenyl)-morpholin-4-ylmethanethione?
(2-ethoxyphenyl)-morpholin-4-ylmethanethione has a molecular weight of 251.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 970600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).