Dimethylaminothioacetamide hydrochloride - ≥97% , CAS No.27366-72-9

CAS: 27366-72-9 Cat. No.: D183361 Summenformel: C₄H₁₁ClN₂S Molekulargewicht: 154.66 EG-Nummer: 435-470-1

GRADE & PURITY ≥97%

Synonyms

EC 435-470-1 | DISTAMYCIN A, HCL | MLS002222186 | UNII-5O5XZB7AQC | A803146 | Ethanethioamide, 2-(dimethylamino)-, monohydrochloride | dimethylaminothioacetamide, hydrochloride | A876957 | 2-(Dimethylamino)thioacetamide Hydrochloride; Nizatidine Imp. H (E

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

EC 435-470-1 | DISTAMYCIN A, HCL | MLS002222186 | UNII-5O5XZB7AQC | A803146 | Ethanethioamide, 2-(dimethylamino)-, monohydrochloride | dimethylaminothioacetamide, hydrochloride | A876957 | 2-(Dimethylamino)thioacetamide Hydrochloride; Nizatidine Imp. H (E

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528769707
• Kanonisches Lächeln: CN(C)CC(=S)N.Cl
• IUPAC Name: 2-(dimethylamino)ethanethioamide;hydrochloride
• InChIKey: OQANDCSWKZVVQI-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2S.ClH/c1-6(2)3-4(5)7;/h3H2,1-2H3,(H2,5,7);1H
• Isomere SMILES: CN(C)CC(=S)N.Cl
• Alternative CAS-Nummer: 114166-44-8
• Molekulargewicht: 154.66
• Reaxy-Rn: 5078964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5078964&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: Quaternary ammonium salts Trialkylamines Thiocarboxylic acid amides Thiocarbonyl compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Thiocarbonyl group - Organonitrogen compound - Amine - 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

• Molekulargewicht: 154.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.033 Da
• Monoisotopic Mass: 154.033 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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: 2

XLogP3