1-morpholin-4-ylethane-1,2-dithiol

C6H13NOS2 — CID 123167945

IUPAC1-morpholin-4-ylethane-1,2-dithiol
SMILESSCC(S)N1CCOCC1
InChIInChI=1S/C6H13NOS2/c9-5-6(10)7-1-3-8-4-2-7/h6,9-10H,1-5H2
InChIKeyVXXVXCSFKHCLSY-UHFFFAOYSA-N
MW179.31 g/mol
LogP0.50
Rot. Bonds2

About 1-morpholin-4-ylethane-1,2-dithiol

1-morpholin-4-ylethane-1,2-dithiol (PubChem CID 123167945) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-morpholin-4-ylethane-1,2-dithiol.

Molecular Properties

Compound Name1-morpholin-4-ylethane-1,2-dithiol
PubChem CID123167945
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC Name1-morpholin-4-ylethane-1,2-dithiol
SMILESSCC(S)N1CCOCC1
InChIInChI=1S/C6H13NOS2/c9-5-6(10)7-1-3-8-4-2-7/h6,9-10H,1-5H2
InChIKeyVXXVXCSFKHCLSY-UHFFFAOYSA-N
XLogP0.50
TPSA12.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-ylethane-1,2-dithiol 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 1-morpholin-4-ylethane-1,2-dithiol?
The IUPAC name of 1-morpholin-4-ylethane-1,2-dithiol (CID 123167945) is 1-morpholin-4-ylethane-1,2-dithiol.
What is the SMILES notation for 1-morpholin-4-ylethane-1,2-dithiol?
The canonical SMILES for 1-morpholin-4-ylethane-1,2-dithiol is SCC(S)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylethane-1,2-dithiol?
The InChIKey is VXXVXCSFKHCLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS2/c9-5-6(10)7-1-3-8-4-2-7/h6,9-10H,1-5H2.
What are the key properties of 1-morpholin-4-ylethane-1,2-dithiol?
1-morpholin-4-ylethane-1,2-dithiol has a molecular weight of 179.31 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylethane-1,2-dithiol is sourced from PubChem (CID 123167945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).