phenyl morpholine-4-carbodithioate

C11H13NOS2 — CID 12560105

IUPACphenyl morpholine-4-carbodithioate
SMILESS=C(Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13NOS2/c14-11(12-6-8-13-9-7-12)15-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyLFNDKDWTFFLEMQ-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.40
Rot. Bonds1

About phenyl morpholine-4-carbodithioate

phenyl morpholine-4-carbodithioate (PubChem CID 12560105) has the molecular formula C11H13NOS2 and a molecular weight of 239.37 g/mol. Its IUPAC name is phenyl morpholine-4-carbodithioate.

Molecular Properties

Compound Namephenyl morpholine-4-carbodithioate
PubChem CID12560105
Molecular FormulaC11H13NOS2
Molecular Weight239.37 g/mol
Exact Mass239.04
IUPAC Namephenyl morpholine-4-carbodithioate
SMILESS=C(Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13NOS2/c14-11(12-6-8-13-9-7-12)15-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyLFNDKDWTFFLEMQ-UHFFFAOYSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.40
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 phenyl morpholine-4-carbodithioate?
The IUPAC name of phenyl morpholine-4-carbodithioate (CID 12560105) is phenyl morpholine-4-carbodithioate.
What is the SMILES notation for phenyl morpholine-4-carbodithioate?
The canonical SMILES for phenyl morpholine-4-carbodithioate is S=C(Sc1ccccc1)N1CCOCC1.
What is the InChIKey of phenyl morpholine-4-carbodithioate?
The InChIKey is LFNDKDWTFFLEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c14-11(12-6-8-13-9-7-12)15-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of phenyl morpholine-4-carbodithioate?
phenyl morpholine-4-carbodithioate has a molecular weight of 239.37 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl morpholine-4-carbodithioate is sourced from PubChem (CID 12560105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).