4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one

C7H10O3S4 — CID 3798772

IUPAC4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one
SMILESO=c1sc(SCCO)c(SCCO)s1
InChIInChI=1S/C7H10O3S4/c8-1-3-11-5-6(12-4-2-9)14-7(10)13-5/h8-9H,1-4H2
InChIKeyXQAWOBOYIWEOTD-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.34
Rot. Bonds6

About 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one

4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one (PubChem CID 3798772) has the molecular formula C7H10O3S4 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one.

Molecular Properties

Compound Name4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one
PubChem CID3798772
Molecular FormulaC7H10O3S4
Molecular Weight270.42 g/mol
Exact Mass269.95
IUPAC Name4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one
SMILESO=c1sc(SCCO)c(SCCO)s1
InChIInChI=1S/C7H10O3S4/c8-1-3-11-5-6(12-4-2-9)14-7(10)13-5/h8-9H,1-4H2
InChIKeyXQAWOBOYIWEOTD-UHFFFAOYSA-N
XLogP1.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one?
The IUPAC name of 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one (CID 3798772) is 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one.
What is the SMILES notation for 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one?
The canonical SMILES for 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one is O=c1sc(SCCO)c(SCCO)s1.
What is the InChIKey of 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one?
The InChIKey is XQAWOBOYIWEOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S4/c8-1-3-11-5-6(12-4-2-9)14-7(10)13-5/h8-9H,1-4H2.
What are the key properties of 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one?
4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one has a molecular weight of 270.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-one is sourced from PubChem (CID 3798772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).