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

CAS: 27366-72-9 Cat. No.: D183361 Formula: C₄H₁₁ClN₂S Peso molecolare: 154.66 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528769707
• Sorrisi canonici: 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
• Isomeri SMILES: CN(C)CC(=S)N.Cl
• CAS alternativo: 114166-44-8
• Peso molecolare: 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
    • Classe Thioamides

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

Proprietà chimiche e fisiche

• Peso molecolare: 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