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

CAS: 630-22-8 Cat. No.: D589723 Molecular Weight: 117.22 EC Number: 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

Overview

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

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- |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762334
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762334
• Canonical Smiles: 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)
• Isomeric SMILES: CC(C)(C)C(=S)N
• NSC Number: NSC Number': ['381432
• Molecular Weight: 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
    • Class Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water (10 g/L) (25°C).
• Molecular Weight: 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