3,4-Epoxytetrahydrothiophene-1,1-dioxide

• CAS: 4509-11-9
• Catalog Number: ACM-MO-4509119
• Category: Epoxides; Epoxide Monomers
• Molecular Weight: 134.15 g/mol
• Molecular Formula: C4H6O3S
• Synonyms: 6-oxa-3lambda6-thiabicyclo[3.1.0]hexane 3,3-dioxide
• IUPAC Name: 6-oxa-3$l^{6}-thiabicyclo[3.1.0]hexane 3,3-dioxide
• Canonical SMILES: O=S1(=O)CC2OC2C1
• InChI: 1S/C4H6O3S/c5-8(6)1-3-4(2-8)7-3/h3-4H,1-2H2
• InChI Key: SZAIAWVGWTXVMB-UHFFFAOYSA-N
• Boiling Point: 379.5 °C
• Melting Point: 145-150 °C (lit.)
• Flash Point: 183.1ºC
• Density: 1.576g/cm³
• Appearance: White to Brown Powder
• Application: Used to prepare sulfolene derivatives and acyclic polyenes used in natural product synthesis. For a synthesis, see Tetrahedron Lett.
• Assay: 97%
• EC Number: 224-827-3
• Exact Mass: 134.00400
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Hazard Statements: H302-H315-H317-H319-H335-H350
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• MDL Number: MFCD00065014
• NACRES: NA.23
• Packaging: Packaging; 1 g in glass bottle
• PubChem ID: 24865969
• Quality Level: 100
• RIDADR: UN 2023 3(6.1) / PGII
• Specific Gravity: 1.576
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3,4-Epoxytetrahydrothiophene-1,1-dioxide?

The molecular formula is C4H6O3S.

What is the molecular weight of 3,4-Epoxytetrahydrothiophene-1,1-dioxide?

The molecular weight is 134.16 g/mol.

What is the IUPAC name of 3,4-Epoxytetrahydrothiophene-1,1-dioxide?

The IUPAC name is 6-oxa-3λ 6 -thiabicyclo[3.1.0]hexane 3,3-dioxide.

What is the CAS number of 3,4-Epoxytetrahydrothiophene-1,1-dioxide?

The CAS number is 4509-11-9.

How many hydrogen bond donor counts does 3,4-Epoxytetrahydrothiophene-1,1-dioxide have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3,4-Epoxytetrahydrothiophene-1,1-dioxide have?

It has 3 hydrogen bond acceptor counts.

What is the XLogP3-AA value of 3,4-Epoxytetrahydrothiophene-1,1-dioxide?

The XLogP3-AA value is -0.9.

What is the topological polar surface area of 3,4-Epoxytetrahydrothiophene-1,1-dioxide?

The topological polar surface area is 55Ų.

How many defined atom stereocenter counts does 3,4-Epoxytetrahydrothiophene-1,1-dioxide have?

It has 0 defined atom stereocenter counts.

Is 3,4-Epoxytetrahydrothiophene-1,1-dioxide a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.