3-Methoxypropanethioamide - ≥95% , CAS No.1016740-19-4

CAS: 1016740-19-4 Cat. No.: M1274943 分子式: C₄H₉NOS 分子量: 119.18 EC番号: 886-235-7 PubChem CID: 20121366

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: COCCC(=S)N
• IUPAC Name: 3-methoxypropanethioamide
• InChIKey: AYGNZQROJVNACM-UHFFFAOYSA-N
• INCHI: 1S/C4H9NOS/c1-6-3-2-4(5)7/h2-3H2,1H3,(H2,5,7)
• 異性体SMILES: COCCC(=S)N
• PubChem CID: 20121366
• 分子量: 119.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 分類 Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Thiocarboxylic acid amides Dialkyl ethers Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Thiocarbonyl group - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 119.190 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 119.04 Da
• Monoisotopic Mass: 119.04 Da
• Topological Polar Surface Area: 67.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.700
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 1016740-19-4, the molecular formula is C4H9NOS, and the molecular weight is 119.18 g/mol. InChIKey AYGNZQROJVNACM-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.