Thiopropionamide - ≥98% , CAS No.631-58-3

CAS: 631-58-3 Cat. No.: T140147 Molecular Weight: 89.16 EC Number: 678-504-0 PubChem CID: 2760628

GRADE & PURITY ≥98%

Synonyms

AT14776 | EN300-37147 | 3-propanethioamide | propiothioamide | Z241091446 | Propanethioamide, AldrichCPR | Propanethioamide # | AKOS000129439 | thiopropionic acid amide | InChI=1/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5 | AMY39288 | methylthioacetamide | Thiopr

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AT14776 | EN300-37147 | 3-propanethioamide | propiothioamide | Z241091446 | Propanethioamide, AldrichCPR | Propanethioamide # | AKOS000129439 | thiopropionic acid amide | InChI=1/C3H7NS/c1-2-3(4)5/h2H2, 1H3, (H2, 4, 5 | AMY39288 | methylthioacetamide | Thiopr

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC(=S)N
• IUPAC Name: propanethioamide
• InChIKey: WPZSAUFQHYFIPG-UHFFFAOYSA-N
• INCHI: 1S/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
• Isomeric SMILES: CCC(=S)N
• PubChem CID: 2760628
• Molecular Weight: 89.16
• Reaxy-Rn: 1098404

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: Solubility in water: Practically insoluble; Very soluble in Benzene; Soluble in Methanol; Very slightly soluble in Ether
• Sensitivity: Air Sensitive
• Melt Point(°C): 40.0-42.0℃
• Molecular Weight: 89.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 89.0299 Da
• Monoisotopic Mass: 89.0299 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.200
• 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