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

CAS: 17481-19-5 Cat. No.: C472301 Formule: Cl(CH₂)₃SH Poids moléculaire: 110.61 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C(CS)CCl

IUPAC Name

3-chloropropane-1-thiol

InChIKey

TZCFWOHAWRIQGF-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C(CS)CCl

WGK Allemagne

3

Numéro ONU

3336

Groupe d'emballage

III

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: n20/D 1.4921 (lit.)
• Point d'éclair (°F): 109.4 °F
• Point d'éclair (°C): 43 °C
• Point d'ébullition (°C): 145.5 °C
• Poids moléculaire: 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