Desmetryn - analytical standard , CAS No.1014-69-3

CAS: 1014-69-3 Cat. No.: D356260 分子式: C₈H₁₅N₅S 分子量: 213.3 EC番号: 213-800-1

GRADE & PURITY Analytical standard

Synonyms

Desmetryn [German] | DTXSID6041842 | Methylthio-4-isopropylamino-6-methylamino-s-triazine | N-Methyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine | N2-isopropyl-N4-methyl-6-(methylthio)-1,3,5-triazine-2,4-diamine | 4-N-methyl-6-methylsulfa

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

Desmetryn [German] | DTXSID6041842 | Methylthio-4-isopropylamino-6-methylamino-s-triazine | N-Methyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine | N2-isopropyl-N4-methyl-6-(methylthio)-1,3,5-triazine-2,4-diamine | 4-N-methyl-6-methylsulfa

仕様と純度

analytical standard

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

名前と識別子

パブケム・シド

504752507

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752507

カノニカル・スマイル

CC(C)NC1=NC(=NC(=N1)NC)SC

IUPAC Name

4-N-methyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

InChIKey

HCRWJJJUKUVORR-UHFFFAOYSA-N

INCHI

1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)

異性体SMILES

CC(C)NC1=NC(=NC(=N1)NC)SC

UN番号

3077

包装グループ

III

分子量

213.3

Reaxy-Rn

612017

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=612017&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylthio-s-triazines
• Alternative Parents: Alkyl-2-thio-S-triazines 1,3,5-triazine-2,4-diamines Secondary alkylarylamines N-aliphatic s-triazines Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylthio-s-triazine - 2,4-diamine-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Amino-1,3,5-triazine - Aminotriazine - Secondary aliphatic/aromatic amine - Alkylarylthioether - N-aliphatic s-triazine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as methylthio-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a methylthio group.
• External Descriptors: Triazine herbicides

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

• 融点（°C）: 86-89° C
• 分子量: 213.310 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 213.105 Da
• Monoisotopic Mass: 213.105 Da
• Topological Polar Surface Area: 88.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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 does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1014-69-3, the molecular formula is C8H15N5S, and the molecular weight is 213.3 g/mol. InChIKey HCRWJJJUKUVORR-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.