(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane

C11H16NO4PS2 — CID 168863097

IUPAC(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCOc1ccc(OP(=S)(S)ON2CCOCC2)cc1
InChIInChI=1S/C11H16NO4PS2/c1-13-10-2-4-11(5-3-10)15-17(18,19)16-12-6-8-14-9-7-12/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyRMYMUMCIICWENE-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.49
Rot. Bonds5

About (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane

(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 168863097) has the molecular formula C11H16NO4PS2 and a molecular weight of 321.36 g/mol. Its IUPAC name is (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID168863097
Molecular FormulaC11H16NO4PS2
Molecular Weight321.36 g/mol
Exact Mass321.03
IUPAC Name(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCOc1ccc(OP(=S)(S)ON2CCOCC2)cc1
InChIInChI=1S/C11H16NO4PS2/c1-13-10-2-4-11(5-3-10)15-17(18,19)16-12-6-8-14-9-7-12/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyRMYMUMCIICWENE-UHFFFAOYSA-N
XLogP2.49
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methoxyphenoxy)-morpholin-4-ylphosphoryl]morpholine
CID 3693433
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
ethane;4-(4-methoxyphenyl)morpholin-4-ium
CID 143568777
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
(4-methoxyphenyl) morpholine-4-carbodithioate
CID 23907737
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride
CID 57390385
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-[(4-methoxyphenyl)-diphenylmethyl]morpholine
CID 70697309
2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
CID 7341191

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane (CID 168863097) is (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane is COc1ccc(OP(=S)(S)ON2CCOCC2)cc1.
What is the InChIKey of (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is RMYMUMCIICWENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO4PS2/c1-13-10-2-4-11(5-3-10)15-17(18,19)16-12-6-8-14-9-7-12/h2-5H,6-9H2,1H3,(H,18,19).
What are the key properties of (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane?
(4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 321.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenoxy)-morpholin-4-yloxy-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 168863097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).