[morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate

C16H21N2O2S5Sb — CID 139240677

IUPAC[morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate
SMILESS=C(S[Sb](SC(=S)N1CCOCC1)Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C6H6S.2C5H9NOS2.Sb/c7-6-4-2-1-3-5-6;2*8-5(9)6-1-3-7-4-2-6;/h1-5,7H;2*1-4H2,(H,8,9);/q;;;+3/p-3
InChIKeyIIIUGFZNJGZYHM-UHFFFAOYSA-K
MW555.45 g/mol
LogP3.46
Rot. Bonds4

About [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate

[morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate (PubChem CID 139240677) has the molecular formula C16H21N2O2S5Sb and a molecular weight of 555.45 g/mol. Its IUPAC name is [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate
PubChem CID139240677
Molecular FormulaC16H21N2O2S5Sb
Molecular Weight555.45 g/mol
Exact Mass553.92
IUPAC Name[morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate
SMILESS=C(S[Sb](SC(=S)N1CCOCC1)Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C6H6S.2C5H9NOS2.Sb/c7-6-4-2-1-3-5-6;2*8-5(9)6-1-3-7-4-2-6;/h1-5,7H;2*1-4H2,(H,8,9);/q;;;+3/p-3
InChIKeyIIIUGFZNJGZYHM-UHFFFAOYSA-K
XLogP3.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate?
The IUPAC name of [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate (CID 139240677) is [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate.
What is the SMILES notation for [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate?
The canonical SMILES for [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate is S=C(S[Sb](SC(=S)N1CCOCC1)Sc1ccccc1)N1CCOCC1.
What is the InChIKey of [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate?
The InChIKey is IIIUGFZNJGZYHM-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H6S.2C5H9NOS2.Sb/c7-6-4-2-1-3-5-6;2*8-5(9)6-1-3-7-4-2-6;/h1-5,7H;2*1-4H2,(H,8,9);/q;;;+3/p-3.
What are the key properties of [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate?
[morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate has a molecular weight of 555.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate is sourced from PubChem (CID 139240677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).