Thiomorpholine-3-thione , CAS No.21009-58-5

CAS: 21009-58-5 Cat. No.: T962032 Formula: C₄H₇NS₂ Peso molecolare: 133.200 Numero EC: 842-803-6

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

• Sorrisi canonici: C1CSCC(=S)N1
• IUPAC Name: thiomorpholine-3-thione
• InChIKey: CAQSLXADSMAWHL-UHFFFAOYSA-N
• INCHI: 1S/C4H7NS2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
• Peso molecolare: 133.200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiazinanes
      • Subclass Thiazinanethiones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiazinanes
• Subclass: Thiazinanethiones
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazinanethiones
• Alternative Parents: Thiomorpholines Thiolactams Dialkylthioethers Azacyclic compounds Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-thiazinanethione - 1,4-thiazinane - Thiolactam - Azacycle - Dialkylthioether - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thiazinanethiones. These are heterocyclic compounds containing a thioketone group conjugated to a saturated six-member ring with four carbon atoms, one sulfur atom, and one nitrogen.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 133.200 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.002 Da
• Monoisotopic Mass: 133.002 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 81.800
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 21009-58-5, the molecular formula is C4H7NS2, and the molecular weight is 133.200 g/mol. InChIKey CAQSLXADSMAWHL-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.