Thiodiglycolic anhydride - ≥98% , CAS No.3261-87-8

CAS: 3261-87-8 Cat. No.: T136548 Summenformel: C₄H₄O₃S Molekulargewicht: 132.13 Beilstein Registry Number: 112528 EG-Nummer: 608-761-6 PubChem CID: 137871

GRADE & PURITY ≥98%

Synonyms

AKOS008988060 | RIIUAPMWDSRBSH-UHFFFAOYSA-N | Thiodiglycolic anhydride, AldrichCPR | DTXSID30186306 | Thiodiglycolic anhydride | FT-0634751 | H10798 | C4H4O3S | 1-Oxa-4-thia-cyclohexan-2,6-dione | 1,4-Oxathiane-2,6-dione # | STR03033 | MFCD00051689 | 1,4-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

AKOS008988060 | RIIUAPMWDSRBSH-UHFFFAOYSA-N | Thiodiglycolic anhydride, AldrichCPR | DTXSID30186306 | Thiodiglycolic anhydride | FT-0634751 | H10798 | C4H4O3S | 1-Oxa-4-thia-cyclohexan-2,6-dione | 1,4-Oxathiane-2,6-dione # | STR03033 | MFCD00051689 | 1,4-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504757139

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757139

Kanonisches Lächeln

C1C(=O)OC(=O)CS1

IUPAC Name

1,4-oxathiane-2,6-dione

InChIKey

RIIUAPMWDSRBSH-UHFFFAOYSA-N

INCHI

1S/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2

Isomere SMILES

C1C(=O)OC(=O)CS1

PubChem CID

137871

Molekulargewicht

132.13

Beilstein

112528

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxathianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxathianes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxathianes
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-oxathiane - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Dialkylthioether - Thioether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxathianes. These are compounds containing an oxathiane moiety, which consists of a saturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiane, 1,3-oxathiane,and 1,4-oxathiane.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic,Air Sensitive
• Schmelzpunkt (°C): 95-100°
• Molekulargewicht: 132.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 131.988 Da
• Monoisotopic Mass: 131.988 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 117.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1