1,2,5-oxadithiolane 2,5-dioxide

C2H4O3S2 — CID 146827375

IUPAC1,2,5-oxadithiolane 2,5-dioxide
SMILESO=S1CCS(=O)O1
InChIInChI=1S/C2H4O3S2/c3-6-1-2-7(4)5-6/h1-2H2
InChIKeySDFSQVXAMIEZQM-UHFFFAOYSA-N
MW140.18 g/mol
LogP-0.66
Rot. Bonds

About 1,2,5-oxadithiolane 2,5-dioxide

1,2,5-oxadithiolane 2,5-dioxide (PubChem CID 146827375) has the molecular formula C2H4O3S2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1,2,5-oxadithiolane 2,5-dioxide.

Molecular Properties

Compound Name1,2,5-oxadithiolane 2,5-dioxide
PubChem CID146827375
Molecular FormulaC2H4O3S2
Molecular Weight140.18 g/mol
Exact Mass139.96
IUPAC Name1,2,5-oxadithiolane 2,5-dioxide
SMILESO=S1CCS(=O)O1
InChIInChI=1S/C2H4O3S2/c3-6-1-2-7(4)5-6/h1-2H2
InChIKeySDFSQVXAMIEZQM-UHFFFAOYSA-N
XLogP-0.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-oxadithiolane 2,5-dioxide?
The IUPAC name of 1,2,5-oxadithiolane 2,5-dioxide (CID 146827375) is 1,2,5-oxadithiolane 2,5-dioxide.
What is the SMILES notation for 1,2,5-oxadithiolane 2,5-dioxide?
The canonical SMILES for 1,2,5-oxadithiolane 2,5-dioxide is O=S1CCS(=O)O1.
What is the InChIKey of 1,2,5-oxadithiolane 2,5-dioxide?
The InChIKey is SDFSQVXAMIEZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3S2/c3-6-1-2-7(4)5-6/h1-2H2.
What are the key properties of 1,2,5-oxadithiolane 2,5-dioxide?
1,2,5-oxadithiolane 2,5-dioxide has a molecular weight of 140.18 g/mol, XLogP of -0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-oxadithiolane 2,5-dioxide is sourced from PubChem (CID 146827375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).