2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide

C6H10O4S2 — CID 169451315

IUPAC2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=C1C(C)S(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h6H,1,3-4H2,2H3
InChIKeyNQKNLQOHXDALAI-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.27
Rot. Bonds

About 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide

2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide (PubChem CID 169451315) has the molecular formula C6H10O4S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide.

Molecular Properties

Compound Name2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide
PubChem CID169451315
Molecular FormulaC6H10O4S2
Molecular Weight210.28 g/mol
Exact Mass210.00
IUPAC Name2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide
SMILESC=C1C(C)S(=O)(=O)CCS1(=O)=O
InChIInChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h6H,1,3-4H2,2H3
InChIKeyNQKNLQOHXDALAI-UHFFFAOYSA-N
XLogP-0.27
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide?
The IUPAC name of 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide (CID 169451315) is 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide.
What is the SMILES notation for 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide?
The canonical SMILES for 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide is C=C1C(C)S(=O)(=O)CCS1(=O)=O.
What is the InChIKey of 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide?
The InChIKey is NQKNLQOHXDALAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h6H,1,3-4H2,2H3.
What are the key properties of 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide?
2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide has a molecular weight of 210.28 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-1,4-dithiane 1,1,4,4-tetraoxide is sourced from PubChem (CID 169451315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).