phenylsulfanyl morpholine-4-carbodithioate

C11H13NOS3 — CID 90673304

IUPACphenylsulfanyl morpholine-4-carbodithioate
SMILESS=C(SSc1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13NOS3/c14-11(12-6-8-13-9-7-12)16-15-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyJGDOQCKGDQWSEL-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.04
Rot. Bonds2

About phenylsulfanyl morpholine-4-carbodithioate

phenylsulfanyl morpholine-4-carbodithioate (PubChem CID 90673304) has the molecular formula C11H13NOS3 and a molecular weight of 271.43 g/mol. Its IUPAC name is phenylsulfanyl morpholine-4-carbodithioate.

Molecular Properties

Compound Namephenylsulfanyl morpholine-4-carbodithioate
PubChem CID90673304
Molecular FormulaC11H13NOS3
Molecular Weight271.43 g/mol
Exact Mass271.02
IUPAC Namephenylsulfanyl morpholine-4-carbodithioate
SMILESS=C(SSc1ccccc1)N1CCOCC1
InChIInChI=1S/C11H13NOS3/c14-11(12-6-8-13-9-7-12)16-15-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyJGDOQCKGDQWSEL-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenylsulfanyl 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

Related Compounds

Phenyl morpholine-4-carbodithioate
CID 12560105
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
(4-Methylphenyl)sulfanyl morpholine-4-carbodithioate
CID 326290
N-(4-fluorophenylthio)morpholine
CID 26794754
4-(Phenylsulfinyl)morpholine
CID 12002995
4-[(Phenylsulfanyl)methyl]morpholine
CID 4328889
4-(Phenylthio)morpholine
CID 12367071
4-(3,5-Difluorophenyl)sulfanylmorpholine
CID 169584470
(4-Fluorophenyl) morpholine-4-carbodithioate
CID 176201066
[Morpholine-4-carbothioylsulfanyl(phenylsulfanyl)stibanyl] morpholine-4-carbodithioate
CID 139240677
3-Methyl-4-phenylsulfanylmorpholine
CID 21364461
4-(Phenyldisulfanyl)morpholine
CID 21441533

Frequently Asked Questions

What is the IUPAC name of phenylsulfanyl morpholine-4-carbodithioate?
The IUPAC name of phenylsulfanyl morpholine-4-carbodithioate (CID 90673304) is phenylsulfanyl morpholine-4-carbodithioate.
What is the SMILES notation for phenylsulfanyl morpholine-4-carbodithioate?
The canonical SMILES for phenylsulfanyl morpholine-4-carbodithioate is S=C(SSc1ccccc1)N1CCOCC1.
What is the InChIKey of phenylsulfanyl morpholine-4-carbodithioate?
The InChIKey is JGDOQCKGDQWSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS3/c14-11(12-6-8-13-9-7-12)16-15-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of phenylsulfanyl morpholine-4-carbodithioate?
phenylsulfanyl morpholine-4-carbodithioate has a molecular weight of 271.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanyl morpholine-4-carbodithioate is sourced from PubChem (CID 90673304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).