4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione

C7H10OS3Se2 — CID 10948488

IUPAC4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione
SMILESCC[Se]c1sc(=S)sc1[Se]CCO
InChIInChI=1S/C7H10OS3Se2/c1-2-12-5-6(13-4-3-8)11-7(9)10-5/h8H,2-4H2,1H3
InChIKeyPOVIEGYWMDIFJH-UHFFFAOYSA-N
MW364.28 g/mol
LogP1.05
Rot. Bonds5

About 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione

4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione (PubChem CID 10948488) has the molecular formula C7H10OS3Se2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione.

Molecular Properties

Compound Name4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione
PubChem CID10948488
Molecular FormulaC7H10OS3Se2
Molecular Weight364.28 g/mol
Exact Mass365.82
IUPAC Name4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione
SMILESCC[Se]c1sc(=S)sc1[Se]CCO
InChIInChI=1S/C7H10OS3Se2/c1-2-12-5-6(13-4-3-8)11-7(9)10-5/h8H,2-4H2,1H3
InChIKeyPOVIEGYWMDIFJH-UHFFFAOYSA-N
XLogP1.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione 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

4-Ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione
CID 11034465
4-(2-Hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione
CID 11833601

Frequently Asked Questions

What is the IUPAC name of 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione?
The IUPAC name of 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione (CID 10948488) is 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione.
What is the SMILES notation for 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione?
The canonical SMILES for 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione is CC[Se]c1sc(=S)sc1[Se]CCO.
What is the InChIKey of 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione?
The InChIKey is POVIEGYWMDIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS3Se2/c1-2-12-5-6(13-4-3-8)11-7(9)10-5/h8H,2-4H2,1H3.
What are the key properties of 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione?
4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione has a molecular weight of 364.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione is sourced from PubChem (CID 10948488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).