Acetyl Sulfide - ≥95%(GC) , CAS No.3232-39-1

CAS: 3232-39-1 Cat. No.: A151355 Formule: C₄H₆O₂S Poids moléculaire: 118.15 Numéro CE: 221-774-8

GRADE & PURITY ≥95%(GC)

Synonyms

DPCQJLQPDJPRCM-UHFFFAOYSA- | MFCD00008753 | 27W3N6DYV7 | Diacetylthiamin | SCHEMBL3748079 | SCHEMBL479385 | EN300-7402520 | 1,1'-Thiobis-(ethane-1-one) | (CH3CO)2S | Ethanethioic acid, anhydrosulfide | Acetic thioanhydride # | Acetyl sulfide , 95% | InChI

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

DPCQJLQPDJPRCM-UHFFFAOYSA- | MFCD00008753 | 27W3N6DYV7 | Diacetylthiamin | SCHEMBL3748079 | SCHEMBL479385 | EN300-7402520 | 1,1'-Thiobis-(ethane-1-one) | (CH3CO)2S | Ethanethioic acid, anhydrosulfide | Acetic thioanhydride # | Acetyl sulfide , 95% | InChI

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

• Pubchem Sid: 508811871
• Sourires canoniques: CC(=O)SC(=O)C
• IUPAC Name: S-acetyl ethanethioate
• InChIKey: DPCQJLQPDJPRCM-UHFFFAOYSA-N
• INCHI: 1S/C4H6O2S/c1-3(5)7-4(2)6/h1-2H3
• Isomères SMILES: CC(=O)SC(=O)C
• Poids moléculaire: 118.15
• Reaxy-Rn: 1701444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Thiocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Thiocarboxylic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiocarboxylic acids and derivatives
• Alternative Parents: Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiocarboxylic acids and derivatives. These are organic compounds containing a derivative of thiocarboxylic acid, with the general structure RC(=S)R' (R=H, alkyl, aryl; R'=any heteroatom).
• 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.48
• Point d'éclair (°C): 27°C(lit.)
• Point d'ébullition (°C): 120°C(lit.)
• Poids moléculaire: 118.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.009 Da
• Monoisotopic Mass: 118.009 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 85.900
• 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