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

C6H8OS5 — CID 11010596

IUPAC4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione
SMILESCSc1sc(=S)sc1SCCO
InChIInChI=1S/C6H8OS5/c1-9-4-5(10-3-2-7)12-6(8)11-4/h7H,2-3H2,1H3
InChIKeyKMPPTJVFOVUZMP-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.35
Rot. Bonds4

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

4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione (PubChem CID 11010596) has the molecular formula C6H8OS5 and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione
PubChem CID11010596
Molecular FormulaC6H8OS5
Molecular Weight256.46 g/mol
Exact Mass255.92
IUPAC Name4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione
SMILESCSc1sc(=S)sc1SCCO
InChIInChI=1S/C6H8OS5/c1-9-4-5(10-3-2-7)12-6(8)11-4/h7H,2-3H2,1H3
InChIKeyKMPPTJVFOVUZMP-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
2,2-Dimethylthioethanol
CID 14729212
Ethanol, 2-(methylthio)methylthio
CID 20700707
Stk368240
CID 3798772
4-(2-Hydroxyethylsulfanyl)-1,3-dithiole-2-thione
CID 90908981
4,5-Bis(1-hydroxyethyldisulfanyl)-1,3-dithiol-2-one
CID 18970516
2-(Ethylsulfanylmethylsulfanyl)ethanol
CID 22572364
2-[1,2,2-Tris(sulfanyl)ethenylsulfanyl]ethanol
CID 88897315
2-Hydroxyethylsulfanyl(methylsulfanyl)methanethione
CID 122680744
2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 10883227
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-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione (CID 11010596) is 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione is CSc1sc(=S)sc1SCCO.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione?
The InChIKey is KMPPTJVFOVUZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS5/c1-9-4-5(10-3-2-7)12-6(8)11-4/h7H,2-3H2,1H3.
What are the key properties of 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione?
4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione has a molecular weight of 256.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione is sourced from PubChem (CID 11010596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).