(4-methoxyphenyl) morpholine-4-carbodithioate

C12H15NO2S2 — CID 23907737

IUPAC(4-methoxyphenyl) morpholine-4-carbodithioate
SMILESCOc1ccc(SC(=S)N2CCOCC2)cc1
InChIInChI=1S/C12H15NO2S2/c1-14-10-2-4-11(5-3-10)17-12(16)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeyAPACFZWHAZEWKZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.40
Rot. Bonds2

About (4-methoxyphenyl) morpholine-4-carbodithioate

(4-methoxyphenyl) morpholine-4-carbodithioate (PubChem CID 23907737) has the molecular formula C12H15NO2S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-methoxyphenyl) morpholine-4-carbodithioate.

Molecular Properties

Compound Name(4-methoxyphenyl) morpholine-4-carbodithioate
PubChem CID23907737
Molecular FormulaC12H15NO2S2
Molecular Weight269.39 g/mol
Exact Mass269.05
IUPAC Name(4-methoxyphenyl) morpholine-4-carbodithioate
SMILESCOc1ccc(SC(=S)N2CCOCC2)cc1
InChIInChI=1S/C12H15NO2S2/c1-14-10-2-4-11(5-3-10)17-12(16)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeyAPACFZWHAZEWKZ-UHFFFAOYSA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-methoxyphenyl) morpholine-4-carbodithioate?
The IUPAC name of (4-methoxyphenyl) morpholine-4-carbodithioate (CID 23907737) is (4-methoxyphenyl) morpholine-4-carbodithioate.
What is the SMILES notation for (4-methoxyphenyl) morpholine-4-carbodithioate?
The canonical SMILES for (4-methoxyphenyl) morpholine-4-carbodithioate is COc1ccc(SC(=S)N2CCOCC2)cc1.
What is the InChIKey of (4-methoxyphenyl) morpholine-4-carbodithioate?
The InChIKey is APACFZWHAZEWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S2/c1-14-10-2-4-11(5-3-10)17-12(16)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of (4-methoxyphenyl) morpholine-4-carbodithioate?
(4-methoxyphenyl) morpholine-4-carbodithioate has a molecular weight of 269.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) morpholine-4-carbodithioate is sourced from PubChem (CID 23907737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).