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

CAS: 17481-19-5 Cat. No.: C472301 Formula: Cl(CH₂)₃SH Peso molecolare: 110.61 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C(CS)CCl
• IUPAC Name: 3-chloropropane-1-thiol
• InChIKey: TZCFWOHAWRIQGF-UHFFFAOYSA-N
• INCHI: 1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2
• Isomeri SMILES: C(CS)CCl
• WGK Germania: 3
• Numero UN: 3336
• Gruppo di imballaggio: III
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.4921 (lit.)
• Punto di infiammabilità (°F): 109.4 °F
• Punto di infiammabilità (°C): 43 °C
• Punto di ebollizione (°C): 145.5 °C
• Peso molecolare: 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