2,2-Dimethylpropanethioamide - ≥98% , CAS No.630-22-8

CAS: 630-22-8 Cat. No.: D589723 Summenformel: C₅H₁₁NS Molekulargewicht: 117.22 EG-Nummer: 677-829-5

GRADE & PURITY ≥98%

Synonyms

2,2-dimethylpropanethioamide | AS-10697 | AM20100553 | DTXSID00388714 | 2,2-Dimethylthiopropionamide | 2,2-dimethyl-thiopropionamide | NSC381432 | NSC-381432 | SY029105 | SCHEMBL12102191 | NIOSH/UE4523000 | A846842 | Propionamide, 2-methyl-2-methylthio- |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Übersicht

Product Application:

2,2,2-Trimethylthioacetamide, is used as a pharmaceutical and organic intermediate, an important amino protective agent, pharmaceutical and synthetic organic make intermediates, organic synthesis used to introduce t- Boc protect gene species.

Specifications

Synonyme

2,2-dimethylpropanethioamide | AS-10697 | AM20100553 | DTXSID00388714 | 2,2-Dimethylthiopropionamide | 2,2-dimethyl-thiopropionamide | NSC381432 | NSC-381432 | SY029105 | SCHEMBL12102191 | NIOSH/UE4523000 | A846842 | Propionamide, 2-methyl-2-methylthio- |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504762334
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762334
• Kanonisches Lächeln: CC(C)(C)C(=S)N
• IUPAC Name: 2,2-dimethylpropanethioamide
• InChIKey: FJZJUSOFGBXHCV-UHFFFAOYSA-N
• INCHI: 1S/C5H11NS/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
• Isomere SMILES: CC(C)(C)C(=S)N
• NSC-Nummer: NSC Number': ['381432
• Molekulargewicht: 117.22
• Reaxy-Rn: 1902157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902157&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
• 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

• Löslichkeit: Soluble in water (10 g/L) (25°C).
• Molekulargewicht: 117.220 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 117.061 Da
• Monoisotopic Mass: 117.061 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 80.600
• 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