morpholin-4-yl(phenyl)methanethione

C11H13NOS — CID 16244

IUPACmorpholin-4-yl(phenyl)methanethione
SMILESS=C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13NOS/c14-11(10-4-2-1-3-5-10)12-6-8-13-9-7-12/h1-5H,6-9H2
InChIKeyAEKJTLISCSMKLR-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.69
Rot. Bonds1

About morpholin-4-yl(phenyl)methanethione

morpholin-4-yl(phenyl)methanethione (PubChem CID 16244) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is morpholin-4-yl(phenyl)methanethione.

Molecular Properties

Compound Namemorpholin-4-yl(phenyl)methanethione
PubChem CID16244
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Namemorpholin-4-yl(phenyl)methanethione
SMILESS=C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13NOS/c14-11(10-4-2-1-3-5-10)12-6-8-13-9-7-12/h1-5H,6-9H2
InChIKeyAEKJTLISCSMKLR-UHFFFAOYSA-N
XLogP1.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
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 morpholin-4-yl(phenyl)methanethione?
The IUPAC name of morpholin-4-yl(phenyl)methanethione (CID 16244) is morpholin-4-yl(phenyl)methanethione.
What is the SMILES notation for morpholin-4-yl(phenyl)methanethione?
The canonical SMILES for morpholin-4-yl(phenyl)methanethione is S=C(c1ccccc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(phenyl)methanethione?
The InChIKey is AEKJTLISCSMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c14-11(10-4-2-1-3-5-10)12-6-8-13-9-7-12/h1-5H,6-9H2.
What are the key properties of morpholin-4-yl(phenyl)methanethione?
morpholin-4-yl(phenyl)methanethione has a molecular weight of 207.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(phenyl)methanethione is sourced from PubChem (CID 16244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).