3-(dithiolan-3-ylsulfonyl)dithiolane

C6H10O2S5 — CID 163263962

IUPAC3-(dithiolan-3-ylsulfonyl)dithiolane
SMILESO=S(=O)(C1CCSS1)C1CCSS1
InChIInChI=1S/C6H10O2S5/c7-13(8,5-1-3-9-11-5)6-2-4-10-12-6/h5-6H,1-4H2
InChIKeyMIBRZKXLJZMBRT-UHFFFAOYSA-N
MW274.48 g/mol
LogP2.62
Rot. Bonds2

About 3-(dithiolan-3-ylsulfonyl)dithiolane

3-(dithiolan-3-ylsulfonyl)dithiolane (PubChem CID 163263962) has the molecular formula C6H10O2S5 and a molecular weight of 274.48 g/mol. Its IUPAC name is 3-(dithiolan-3-ylsulfonyl)dithiolane.

Molecular Properties

Compound Name3-(dithiolan-3-ylsulfonyl)dithiolane
PubChem CID163263962
Molecular FormulaC6H10O2S5
Molecular Weight274.48 g/mol
Exact Mass273.93
IUPAC Name3-(dithiolan-3-ylsulfonyl)dithiolane
SMILESO=S(=O)(C1CCSS1)C1CCSS1
InChIInChI=1S/C6H10O2S5/c7-13(8,5-1-3-9-11-5)6-2-4-10-12-6/h5-6H,1-4H2
InChIKeyMIBRZKXLJZMBRT-UHFFFAOYSA-N
XLogP2.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dithiolan-3-ylsulfonyl)dithiolane?
The IUPAC name of 3-(dithiolan-3-ylsulfonyl)dithiolane (CID 163263962) is 3-(dithiolan-3-ylsulfonyl)dithiolane.
What is the SMILES notation for 3-(dithiolan-3-ylsulfonyl)dithiolane?
The canonical SMILES for 3-(dithiolan-3-ylsulfonyl)dithiolane is O=S(=O)(C1CCSS1)C1CCSS1.
What is the InChIKey of 3-(dithiolan-3-ylsulfonyl)dithiolane?
The InChIKey is MIBRZKXLJZMBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S5/c7-13(8,5-1-3-9-11-5)6-2-4-10-12-6/h5-6H,1-4H2.
What are the key properties of 3-(dithiolan-3-ylsulfonyl)dithiolane?
3-(dithiolan-3-ylsulfonyl)dithiolane has a molecular weight of 274.48 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dithiolan-3-ylsulfonyl)dithiolane is sourced from PubChem (CID 163263962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).