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 EC: 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

Descripción general

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,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

≥98%

Nombres e identificadores

Sonrisas canónicas

C(CS)CCl

IUPAC Name

3-chloropropane-1-thiol

InChIKey

TZCFWOHAWRIQGF-UHFFFAOYSA-N

INCHI

1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2

Isómeros SMILES

C(CS)CCl

WGK Alemania

3

Número ONU

3336

Grupo de embalaje

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
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.4921 (lit.)
• Punto de inflamación (°F): 109.4 °F
• Punto de inflamación (°C): 43 °C
• Punto de ebullición (°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