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

C5H6OS4 — CID 90908981

IUPAC4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione
SMILESOCCSc1csc(=S)s1
InChIInChI=1S/C5H6OS4/c6-1-2-8-4-3-9-5(7)10-4/h3,6H,1-2H2
InChIKeyKPASWDUMAXWQGO-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.62
Rot. Bonds3

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

4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione (PubChem CID 90908981) has the molecular formula C5H6OS4 and a molecular weight of 210.37 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione
PubChem CID90908981
Molecular FormulaC5H6OS4
Molecular Weight210.37 g/mol
Exact Mass209.93
IUPAC Name4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione
SMILESOCCSc1csc(=S)s1
InChIInChI=1S/C5H6OS4/c6-1-2-8-4-3-9-5(7)10-4/h3,6H,1-2H2
InChIKeyKPASWDUMAXWQGO-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
4-(2-Hydroxyethylsulfanyl)-1,3-dithiol-2-one
CID 87254304
1,3-Dithiol-2-ylmethanol
CID 141274373
4-(2-Hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-dithiole-2-thione
CID 11010596

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione (CID 90908981) is 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione is OCCSc1csc(=S)s1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione?
The InChIKey is KPASWDUMAXWQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS4/c6-1-2-8-4-3-9-5(7)10-4/h3,6H,1-2H2.
What are the key properties of 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione?
4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione has a molecular weight of 210.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione is sourced from PubChem (CID 90908981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).