4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one

C5H6O2S3 — CID 87254304

IUPAC4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one
SMILESO=c1scc(SCCO)s1
InChIInChI=1S/C5H6O2S3/c6-1-2-8-4-3-9-5(7)10-4/h3,6H,1-2H2
InChIKeyTVGCNXIUMNHJLF-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.25
Rot. Bonds3

About 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one

4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one (PubChem CID 87254304) has the molecular formula C5H6O2S3 and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one
PubChem CID87254304
Molecular FormulaC5H6O2S3
Molecular Weight194.30 g/mol
Exact Mass193.95
IUPAC Name4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one
SMILESO=c1scc(SCCO)s1
InChIInChI=1S/C5H6O2S3/c6-1-2-8-4-3-9-5(7)10-4/h3,6H,1-2H2
InChIKeyTVGCNXIUMNHJLF-UHFFFAOYSA-N
XLogP1.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one (CID 87254304) is 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one is O=c1scc(SCCO)s1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one?
The InChIKey is TVGCNXIUMNHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S3/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-dithiol-2-one?
4-(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one has a molecular weight of 194.30 g/mol, XLogP of 1.25, 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-dithiol-2-one is sourced from PubChem (CID 87254304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).