2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide

C4H6O4S2 — CID 20549618

IUPAC2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
SMILESO=S1(=O)C=CS(=O)(=O)CC1
InChIInChI=1S/C4H6O4S2/c5-9(6)1-2-10(7,8)4-3-9/h1-2H,3-4H2
InChIKeyYNEKVCMDWXAQGQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.70
Rot. Bonds

About 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide

2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide (PubChem CID 20549618) has the molecular formula C4H6O4S2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide.

Molecular Properties

Compound Name2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
PubChem CID20549618
Molecular FormulaC4H6O4S2
Molecular Weight182.22 g/mol
Exact Mass181.97
IUPAC Name2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
SMILESO=S1(=O)C=CS(=O)(=O)CC1
InChIInChI=1S/C4H6O4S2/c5-9(6)1-2-10(7,8)4-3-9/h1-2H,3-4H2
InChIKeyYNEKVCMDWXAQGQ-UHFFFAOYSA-N
XLogP-0.70
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide?
The IUPAC name of 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide (CID 20549618) is 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide.
What is the SMILES notation for 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide?
The canonical SMILES for 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide is O=S1(=O)C=CS(=O)(=O)CC1.
What is the InChIKey of 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide?
The InChIKey is YNEKVCMDWXAQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S2/c5-9(6)1-2-10(7,8)4-3-9/h1-2H,3-4H2.
What are the key properties of 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide?
2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide has a molecular weight of 182.22 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide is sourced from PubChem (CID 20549618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).