N,N-Dimethylthioacetamide - ≥97% , CAS No.631-67-4

CAS: 631-67-4 Cat. No.: N140450 Formula: C₄H₉NS Peso molecolare: 103.19 Numero EC: 676-821-9

GRADE & PURITY ≥97%

Synonyms

BRN 1737685 | InChI=1/C4H9NS/c1-4(6)5(2)3/h1-3H | NN-Dimethylthioacetamide | 4-04-00-00182 (Beilstein Handbook Reference) | MFCD00022178 | AKOS006230197 | SCHEMBL434706 | N,N-Dimethylethanethioamide | Dimethylthioacetamid [German] | Dimethylthioacetamide

Storage

Room temperature

Shipped In

Normal

Panoramica

Application

N,N-Dimethylthioacetamide is used as pharmaceutical intermediates

Specifications

Sinonimi

BRN 1737685 | InChI=1/C4H9NS/c1-4(6)5(2)3/h1-3H | NN-Dimethylthioacetamide | 4-04-00-00182 (Beilstein Handbook Reference) | MFCD00022178 | AKOS006230197 | SCHEMBL434706 | N,N-Dimethylethanethioamide | Dimethylthioacetamid [German] | Dimethylthioacetamide

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488181668

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181668

Sorrisi canonici

CC(=S)N(C)C

IUPAC Name

N,N-dimethylethanethioamide

InChIKey

LKNQXZAHNDFIQY-UHFFFAOYSA-N

INCHI

1S/C4H9NS/c1-4(6)5(2)3/h1-3H3

Isomeri SMILES

CC(=S)N(C)C

Peso molecolare

103.19

Reaxy-Rn

1737685

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737685&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: 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
• 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

• Punto di ebollizione (°C): 125-127°/22mm
• Punto di fusione (°C): 72-75°C
• Peso molecolare: 103.190 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 103.046 Da
• Monoisotopic Mass: 103.046 Da
• Topological Polar Surface Area: 35.300 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

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 631-67-4, the molecular formula is C4H9NS, and the molecular weight is 103.19 g/mol. InChIKey LKNQXZAHNDFIQY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.