Cyanomethyl methyl(phenyl)carbamodithioate - ≥97% , CAS No.76926-16-4

CAS: 76926-16-4 Cat. No.: C396703 Peso molecular: 222.33 Número EC: 687-396-4

GRADE & PURITY ≥97%

Synonyms

EN300-768690 | AKOS015891279 | AS-65420 | T71323 | SC10804 | C3534 | DTXSID601337818 | 2-CYANOMETHYL N-METHYL-N-PHENYLDITHIOCARBAMATE | 2-Cyanomethyl-N-methyl-N-phenyldithiocarbamate | FT-0689907 | Z1269194586 | 2-([METHYL(PHENYL)CARBAMOTHIOYL]SULFANYL)AC

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EN300-768690 | AKOS015891279 | AS-65420 | T71323 | SC10804 | C3534 | DTXSID601337818 | 2-CYANOMETHYL N-METHYL-N-PHENYLDITHIOCARBAMATE | 2-Cyanomethyl-N-methyl-N-phenyldithiocarbamate | FT-0689907 | Z1269194586 | 2-([METHYL(PHENYL)CARBAMOTHIOYL]SULFANYL)AC

Especificaciones y pureza

≥97%

Información jurídica

Sold for research purposes only. Not for use in humans or animals. Patents: WO98/01478, WO99/311444. RAFT Agent Kit component.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766534
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766534
• Sonrisas canónicas: CN(C1=CC=CC=C1)C(=S)SCC#N
• IUPAC Name: cyanomethyl N-methyl-N-phenylcarbamodithioate
• InChIKey: FYACMHCOSCVNHO-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2S2/c1-12(10(13)14-8-7-11)9-5-3-2-4-6-9/h2-6H,8H2,1H3
• Isómeros SMILES: CN(C1=CC=CC=C1)C(=S)SCC#N
• WGK Alemania: 3
• Peso molecular: 222.33
• Reaxy-Rn: 30638704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30638704&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Sulfenyl compounds Nitriles Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Punto de fusión (°C): 88-92 °C
• Peso molecular: 222.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.029 Da
• Monoisotopic Mass: 222.029 Da
• Topological Polar Surface Area: 84.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 238.000
• 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