Bacon dithiazine - ~10% solution in EtOH , CAS No.74595-94-1

CAS: 74595-94-1 Cat. No.: B485579 Formule: C₁₅H₃₁NS₂ Poids moléculaire: 289.54 Numéro CE: 639-145-5

GRADE & PURITY ~10% solution in EtOH

Synonyms

2,4,6-tri-(2-methylpropyl) tetrahydro-1,3,5-dithiazine | 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane | DTXSID70996103 | 2,4,6-triisobutyl-1,3,5-dithiazinane | Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine | 2,4,6-Triisobutyl-5,6-dihydro-1,3,5-d

Storage

Argon charged,Room temperature

Specifications

Synonymes

2,4,6-tri-(2-methylpropyl) tetrahydro-1,3,5-dithiazine | 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane | DTXSID70996103 | 2,4,6-triisobutyl-1,3,5-dithiazinane | Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine | 2,4,6-Triisobutyl-5,6-dihydro-1,3,5-d

Spécifications et pureté

~10% solution in EtOH

Conditions de stockage de stockage

Argon charged,Room temperature

Noms et identifiants

• Sourires canoniques: CC(C)CC1NC(SC(S1)CC(C)C)CC(C)C
• IUPAC Name: 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
• InChIKey: RQGPQWUKHADVPF-UHFFFAOYSA-N
• INCHI: 1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3
• Isomères SMILES: CC(C)CC1NC(SC(S1)CC(C)C)CC(C)C
• Poids moléculaire: 289.54
• Reaxy-Rn: 119989
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119989&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azacyclic compounds
      • Subclass Dithiazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azacyclic compounds
• Subclass: Dithiazinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-dithiazinanes
• Alternative Parents: Dithioacetals Thiohemiaminal derivatives Dialkylthioethers Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,5-dithiazinane - Thioacetal - Dialkylthioether - Hemithioaminal - Thioether - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-dithiazinanes. These are cyclic compounds that contain a dithiazinane ring, which is a saturated heterocycle that consisting of one nitrogen atom, two sulfur atoms at the 1-,3-, and 5- position, respectively.
• 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

• Point d'éclair (°F): 55.4 °F
• Point d'éclair (°C): 13 °C
• Poids moléculaire: 289.500 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 289.19 Da
• Monoisotopic Mass: 289.19 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 74595-94-1, the molecular formula is C15H31NS2, and the molecular weight is 289.54 g/mol. InChIKey RQGPQWUKHADVPF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.