Thioisobutyramide - ≥95% , CAS No.13515-65-6

CAS: 13515-65-6 Cat. No.: T140153 Formule: C₄H₉NS Poids moléculaire: 103.18 Beilstein Registry Number: 1098427 Numéro CE: 815-748-0 PubChem CID: 10909507

GRADE & PURITY ≥95%

Synonyms

AB32169 | NPCLRBQYESMUPD-UHFFFAOYSA-N | 2-methylpropanethioamide | 2-methylpropane-thioamide | FT-0672105 | Propanethioamide, 2-methyl-; Propionamide, 2-methylthio- (6CI,7CI,8CI); 2-Methylpropanethioamide; 2-Methylthiopropionamide; Isobutyrthioamide; Thio

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AB32169 | NPCLRBQYESMUPD-UHFFFAOYSA-N | 2-methylpropanethioamide | 2-methylpropane-thioamide | FT-0672105 | Propanethioamide, 2-methyl-; Propionamide, 2-methylthio- (6CI,7CI,8CI); 2-Methylpropanethioamide; 2-Methylthiopropionamide; Isobutyrthioamide; Thio

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504765713

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765713

Sourires canoniques

CC(C)C(=S)N

IUPAC Name

2-methylpropanethioamide

InChIKey

NPCLRBQYESMUPD-UHFFFAOYSA-N

INCHI

1S/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)

Isomères SMILES

CC(C)C(=S)N

PubChem CID

10909507

Poids moléculaire

103.18

Beilstein

1098427

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Point de fusion (°C): 45-48℃
• Poids moléculaire: 103.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 103.046 Da
• Monoisotopic Mass: 103.046 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 58.600
• 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