1,3-dithiane 1,1-dioxide

C4H8O2S2 — CID 11744825

IUPAC1,3-dithiane 1,1-dioxide
SMILESO=S1(=O)CCCSC1
InChIInChI=1S/C4H8O2S2/c5-8(6)3-1-2-7-4-8/h1-4H2
InChIKeyOYRPBJWKZNAONQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.50
Rot. Bonds

About 1,3-dithiane 1,1-dioxide

1,3-dithiane 1,1-dioxide (PubChem CID 11744825) has the molecular formula C4H8O2S2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,3-dithiane 1,1-dioxide.

Molecular Properties

Compound Name1,3-dithiane 1,1-dioxide
PubChem CID11744825
Molecular FormulaC4H8O2S2
Molecular Weight152.24 g/mol
Exact Mass152.00
IUPAC Name1,3-dithiane 1,1-dioxide
SMILESO=S1(=O)CCCSC1
InChIInChI=1S/C4H8O2S2/c5-8(6)3-1-2-7-4-8/h1-4H2
InChIKeyOYRPBJWKZNAONQ-UHFFFAOYSA-N
XLogP0.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dithiane 1,1-dioxide?
The IUPAC name of 1,3-dithiane 1,1-dioxide (CID 11744825) is 1,3-dithiane 1,1-dioxide.
What is the SMILES notation for 1,3-dithiane 1,1-dioxide?
The canonical SMILES for 1,3-dithiane 1,1-dioxide is O=S1(=O)CCCSC1.
What is the InChIKey of 1,3-dithiane 1,1-dioxide?
The InChIKey is OYRPBJWKZNAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S2/c5-8(6)3-1-2-7-4-8/h1-4H2.
What are the key properties of 1,3-dithiane 1,1-dioxide?
1,3-dithiane 1,1-dioxide has a molecular weight of 152.24 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiane 1,1-dioxide is sourced from PubChem (CID 11744825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).