3-Mercaptopropiononitrile - ≥95% , CAS No.1001-58-7

CAS: 1001-58-7 Cat. No.: M302020 Formula: C₃H₅NS Peso molecolare: 87.14 Numero EC: 213-682-1

QUALITÀ & PUREZZA ≥95%

Synonyms

.beta.-Cyanoethylmercaptan | beta-Cyanoethylmercaptan | Propanenitrile, 3-mercapto- | AS-58959 | BY1 | 2-chloro-4-nitrobenzenesulfonylchloride | BRN 1738135 | Ethanethiol, 2-cyano- | beta-mercaptopropionitrile | MFCD00054507 | 3-mercaptopropanonitrile | A

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

.beta.-Cyanoethylmercaptan | beta-Cyanoethylmercaptan | Propanenitrile, 3-mercapto- | AS-58959 | BY1 | 2-chloro-4-nitrobenzenesulfonylchloride | BRN 1738135 | Ethanethiol, 2-cyano- | beta-mercaptopropionitrile | MFCD00054507 | 3-mercaptopropanonitrile | A

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504754538

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754538

Sorrisi canonici

C(CS)C#N

IUPAC Name

3-sulfanylpropanenitrile

InChIKey

FCTXEFOUDMXDPD-UHFFFAOYSA-N

INCHI

1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2

Isomeri SMILES

C(CS)C#N

Peso molecolare

87.14

Reaxy-Rn

1738135

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738135&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Alkylthiols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Alkylthiol - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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 infiammabilità (°C): 77.1℃
• Punto di ebollizione (°C): 203.9℃at 760 mmHg
• Peso molecolare: 87.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.0143 Da
• Monoisotopic Mass: 87.0143 Da
• Topological Polar Surface Area: 24.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 51.200
• 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