1,3,2-Dioxathiane 2-oxide

• CAS: 4176-55-0
• Catalog Number: ACM4176550
• Category: Renewable & Alternative Energy
• Molecular Weight: 122.14294
• Molecular Formula: C₃H₆O₃S
• Synonyms: PROPANE 1,2-CYCLIC SULFITE;PROPYLENE GLYCOL SULFITE;PROPYLENE SULFITE;trimethylene sulphite;1,3-Propylene Sulfite;[1,3,2]Dioxathiane 2-oxide;1,3,2-Dioxathiane 2-oxide;Trimethylene sulfite
• IUPAC Name: 1,3,2-dioxathiane 2-oxide
• Canonical SMILES: C1COS(=O)OC1
• InChI Key: LOURZMYQPMDBSR-UHFFFAOYSA-N
• Boiling Point: 187.5ºC at 760mmHg
• Flash Point: 67.2ºC
• Density: 1.47g/cm³
• EC Number: 224-044-7
• Exact Mass: 122.00400
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound with PubChem CID 77839?

The molecular formula is C3H6O3S.

What is the molecular weight of the compound with PubChem CID 77839?

The molecular weight is 122.15 g/mol.

What are some synonyms for the compound with PubChem CID 77839?

Some synonyms include 1,3,2-Dioxathiane 2-oxide, Trimethylene sulfite, and 1,3,2-Dioxathian-2-one.

When was the compound with PubChem CID 77839 created and last modified?

The compound was created on 2005-03-26 and last modified on 2023-12-02.

What is the IUPAC name of the compound with PubChem CID 77839?

The IUPAC name is 1,3,2-dioxathiane 2-oxide.

What is the InChIKey of the compound with PubChem CID 77839?

The InChIKey is LOURZMYQPMDBSR-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound with PubChem CID 77839?

The Canonical SMILES is C1COS(=O)OC1.

What is the CAS number of the compound with PubChem CID 77839?

The CAS number is 4176-55-0.

What is the XLogP3-AA value of the compound with PubChem CID 77839?

The XLogP3-AA value is 0.3.

Is the compound with PubChem CID 77839 considered to be canonicalized?

Yes, the compound is canonicalized.