2-methylidene-1,3-dithiane 1,3-dioxide

C5H8O2S2 — CID 139253732

IUPAC2-methylidene-1,3-dithiane 1,3-dioxide
SMILESC=C1S(=O)CCCS1=O
InChIInChI=1S/C5H8O2S2/c1-5-8(6)3-2-4-9(5)7/h1-4H2
InChIKeyJLEFLGVLRKOWMK-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.36
Rot. Bonds

About 2-methylidene-1,3-dithiane 1,3-dioxide

2-methylidene-1,3-dithiane 1,3-dioxide (PubChem CID 139253732) has the molecular formula C5H8O2S2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methylidene-1,3-dithiane 1,3-dioxide.

Molecular Properties

Compound Name2-methylidene-1,3-dithiane 1,3-dioxide
PubChem CID139253732
Molecular FormulaC5H8O2S2
Molecular Weight164.25 g/mol
Exact Mass164.00
IUPAC Name2-methylidene-1,3-dithiane 1,3-dioxide
SMILESC=C1S(=O)CCCS1=O
InChIInChI=1S/C5H8O2S2/c1-5-8(6)3-2-4-9(5)7/h1-4H2
InChIKeyJLEFLGVLRKOWMK-UHFFFAOYSA-N
XLogP0.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-dithiane 1,3-dioxide?
The IUPAC name of 2-methylidene-1,3-dithiane 1,3-dioxide (CID 139253732) is 2-methylidene-1,3-dithiane 1,3-dioxide.
What is the SMILES notation for 2-methylidene-1,3-dithiane 1,3-dioxide?
The canonical SMILES for 2-methylidene-1,3-dithiane 1,3-dioxide is C=C1S(=O)CCCS1=O.
What is the InChIKey of 2-methylidene-1,3-dithiane 1,3-dioxide?
The InChIKey is JLEFLGVLRKOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S2/c1-5-8(6)3-2-4-9(5)7/h1-4H2.
What are the key properties of 2-methylidene-1,3-dithiane 1,3-dioxide?
2-methylidene-1,3-dithiane 1,3-dioxide has a molecular weight of 164.25 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-dithiane 1,3-dioxide is sourced from PubChem (CID 139253732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).