3-Chloro-1-propanethiol - ≥98% , CAS No.17481-19-5

CAS: 17481-19-5 Cat. No.: C472301 Fórmula: Cl(CH₂)₃SH Peso molecular: 110.61 Número CE: 241-496-0

GRADE & PURITY ≥98%

Synonyms

FT-0701994 | 3-chloropropane-1-thiol | SCHEMBL96905 | NSC 64636 | 3-Chloro-1-propanethiol | AKOS006221913 | NCIOpen2_000018 | 3-chloropropan-1-thiol | 1-Propanethiol, 3-chloro- | MFCD00004902 | 3-Chloro-1-propanethiol, 98% | J-011042 | 3-chloro-1 propanet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

3-Chloro-1-propanethiol is a sulfur-containingcompound used as a building block in organic synthesis.It acts as a nucleophilic reagent in SN2 reactions.

Specifications

Sinónimos

FT-0701994 | 3-chloropropane-1-thiol | SCHEMBL96905 | NSC 64636 | 3-Chloro-1-propanethiol | AKOS006221913 | NCIOpen2_000018 | 3-chloropropan-1-thiol | 1-Propanethiol, 3-chloro- | MFCD00004902 | 3-Chloro-1-propanethiol, 98% | J-011042 | 3-chloro-1 propanet

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: C(CS)CCl
• IUPAC Name: 3-chloropropane-1-thiol
• InChIKey: TZCFWOHAWRIQGF-UHFFFAOYSA-N
• INCHI: 1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2
• SMILES isoméricas: C(CS)CCl
• WGK Alemanha: 3
• Número UN: 3336
• Grupo de embalagem: III
• Peso molecular: 110.61
• Reaxy-Rn: 1731085
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731085&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.4921 (lit.)
• Ponto de inflamação (°F): 109.4 °F
• Ponto de inflamação (°C): 43 °C
• Ponto de ebulição (°C): 145.5 °C
• Peso molecular: 110.610 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 109.996 Da
• Monoisotopic Mass: 109.996 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 16.400
• 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