4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide

C4H8O4S2 — CID 54222403

IUPAC4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESCC1CS(=O)(=O)CS1(=O)=O
InChIInChI=1S/C4H8O4S2/c1-4-2-9(5,6)3-10(4,7)8/h4H,2-3H2,1H3
InChIKeyYXNUSJIRRXOWNN-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.82
Rot. Bonds

About 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide

4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide (PubChem CID 54222403) has the molecular formula C4H8O4S2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
PubChem CID54222403
Molecular FormulaC4H8O4S2
Molecular Weight184.24 g/mol
Exact Mass183.99
IUPAC Name4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESCC1CS(=O)(=O)CS1(=O)=O
InChIInChI=1S/C4H8O4S2/c1-4-2-9(5,6)3-10(4,7)8/h4H,2-3H2,1H3
InChIKeyYXNUSJIRRXOWNN-UHFFFAOYSA-N
XLogP-0.82
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(ethylsulfonyl)methane
CID 240593
3-(Butane-1-sulfonyl)-tetrahydro-thiophene 1,1-dioxide
CID 2829782
3-Methanesulfonylpropane-1-sulfonyl chloride
CID 50989327
3-Ethylsulfanylthiolane 1,1-dioxide
CID 315894
4-Methanesulfonylbutane-1-sulfonyl chloride
CID 132327630
CID 24195061
CID 24195061
Bis(butylsulfonyl)methane
CID 3677604
1-[Ethylsulfonyl(methylsulfonyl)methyl]sulfonylethane
CID 12262294
2-Methyl-1,3-dithiolane 1,1,3-trioxide
CID 14086003
Bis(methylsulfonyl)propane
CID 19348890
Sulfolanethiol
CID 20393593
Butyl sulfolanyl sulfide
CID 129783098

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The IUPAC name of 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide (CID 54222403) is 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The canonical SMILES for 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide is CC1CS(=O)(=O)CS1(=O)=O.
What is the InChIKey of 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
The InChIKey is YXNUSJIRRXOWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S2/c1-4-2-9(5,6)3-10(4,7)8/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide?
4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide has a molecular weight of 184.24 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide is sourced from PubChem (CID 54222403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).