4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione

C6H8OS4Se — CID 11833601

IUPAC4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione
SMILESC[Se]c1sc(=S)sc1SCCO
InChIInChI=1S/C6H8OS4Se/c1-12-5-4(9-3-2-7)10-6(8)11-5/h7H,2-3H2,1H3
InChIKeyBGMLXIVVTILWDU-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.00
Rot. Bonds4

About 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione

4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione (PubChem CID 11833601) has the molecular formula C6H8OS4Se and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione
PubChem CID11833601
Molecular FormulaC6H8OS4Se
Molecular Weight303.36 g/mol
Exact Mass303.86
IUPAC Name4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione
SMILESC[Se]c1sc(=S)sc1SCCO
InChIInChI=1S/C6H8OS4Se/c1-12-5-4(9-3-2-7)10-6(8)11-5/h7H,2-3H2,1H3
InChIKeyBGMLXIVVTILWDU-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione
CID 2325588
2-[[(2E)-4-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 10876086
4-Ethylselanyl-5-(2-hydroxyethylselanyl)-1,3-dithiole-2-thione
CID 10948488
4-(2-Hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione
CID 11010596
4-Ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione
CID 11034465
2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 11071882

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione (CID 11833601) is 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione is C[Se]c1sc(=S)sc1SCCO.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione?
The InChIKey is BGMLXIVVTILWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS4Se/c1-12-5-4(9-3-2-7)10-6(8)11-5/h7H,2-3H2,1H3.
What are the key properties of 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione?
4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione has a molecular weight of 303.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione is sourced from PubChem (CID 11833601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).