5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide

C5H8O2S2 — CID 134922717

IUPAC5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide
SMILESCC1=CS(=O)(=O)CCS1
InChIInChI=1S/C5H8O2S2/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H3
InChIKeyUGFLKEPXEZYZHT-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.01
Rot. Bonds

About 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide

5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide (PubChem CID 134922717) has the molecular formula C5H8O2S2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide
PubChem CID134922717
Molecular FormulaC5H8O2S2
Molecular Weight164.25 g/mol
Exact Mass164.00
IUPAC Name5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide
SMILESCC1=CS(=O)(=O)CCS1
InChIInChI=1S/C5H8O2S2/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H3
InChIKeyUGFLKEPXEZYZHT-UHFFFAOYSA-N
XLogP1.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,1-dioxo-1,4,2-dithiazinan-3-imine
CID 137197454
5-methyl-2,3-dihydro-1,4-oxathiine
CID 12602857
4,6-dimethyl-2,3-dihydro-1,4-thiazine
CID 164763403
5-methyl-1,1-dioxo-4H-thiazin-3-one
CID 129064399
sodium;hydride;4-methyl-1,3-dithiole
CID 175082751
2-benzhydrylidene-1,3-dithiolane 1,1-dioxide
CID 14085990
(3Z)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide
CID 6040240
4-methyl-5H-oxathiole 2,2-dioxide
CID 22247503
4-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 67988698
2-(1,1-dioxo-2,3-dihydrothiophen-4-yl)acetamide
CID 13356235
(4S)-4-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 840171
4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
CID 163716192

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide?
The IUPAC name of 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide (CID 134922717) is 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide?
The canonical SMILES for 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide is CC1=CS(=O)(=O)CCS1.
What is the InChIKey of 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide?
The InChIKey is UGFLKEPXEZYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S2/c1-5-4-9(6,7)3-2-8-5/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide?
5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide has a molecular weight of 164.25 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,4-dithiine 1,1-dioxide is sourced from PubChem (CID 134922717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).