Thiomorpholine - ≥98% , CAS No.123-90-0

CAS: 123-90-0 Cat. No.: T111124 Summenformel: C₄H₉NS Molekulargewicht: 103.19 Beilstein Registry Number: 102550 EG-Nummer: 204-660-2 PubChem CID: 67164

GRADE & PURITY ≥98%

Synonyms

3A8R61G6QV | T-3790 | THIAMORPHOLINE [MI] | EN300-33437 | 1,4-Thiazane | F2158-0924 | CHEBI:36392 | STL193989 | SB12744 | SY033134 | HY-W007359 | Tetrahydro-1,4-thiazine | Thiazolidinane | AKOS005137922 | AS-17826 | 4-thiomorpholine | 1-Thia-4-azacyclohex

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Thiomorpholine forms complexes with Cu(II), Pt(II) and Ni(II) salts and their catalytic activity has been investigated.

Specifications

Synonyme

3A8R61G6QV | T-3790 | THIAMORPHOLINE [MI] | EN300-33437 | 1,4-Thiazane | F2158-0924 | CHEBI:36392 | STL193989 | SB12744 | SY033134 | HY-W007359 | Tetrahydro-1,4-thiazine | Thiazolidinane | AKOS005137922 | AS-17826 | 4-thiomorpholine | 1-Thia-4-azacyclohex

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754129
• Kanonisches Lächeln: C1CSCCN1
• IUPAC Name: thiomorpholine
• InChIKey: BRNULMACUQOKMR-UHFFFAOYSA-N
• INCHI: 1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2
• Isomere SMILES: C1CSCCN1
• WGK Deutschland: 3
• PubChem CID: 67164
• UN-Nummer: 3267
• Molekulargewicht: 103.19
• Beilstein: 102550
• Reaxy-Rn: 102550

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiomorpholines
• Alternative Parents: Dialkylthioethers Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-thiazinane - Azacycle - Dialkylthioether - Thioether - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiomorpholines. These are heterocyclic compounds containing a thiomorpholine ring, which is a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
• External Descriptors: thiomorpholines - saturated organic heteromonocyclic parent

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water and organic solvents.
• Empfindlichkeit: air sensitive
• Brechungsindex: 1.537-1.539
• Flammpunkt (°F): 145.4 °F
• Flammpunkt (°C): 63 °C
• Siedepunkt (°C): 169°C
• Molekulargewicht: 103.190 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 103.046 Da
• Monoisotopic Mass: 103.046 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 34.500
• 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