2-(4-CHLOROPHENYLTHIO)ACETAMIDE , CAS No.30893-65-3

CAS: 30893-65-3 Cat. No.: C169465 Formula: C₈H₈ClNOS Molecular Weight: 201.676 EC Number: 667-239-6

Synonyms

30893-65-3|2-[(4-chlorophenyl)sulfanyl]acetamide|2-[(4-Chlorophenyl)thio]acetamide|2-(4-chlorophenyl)sulfanylacetamide|Acetamide, 2-[(4-chlorophenyl)thio]-|NSC 50720|NSC 525196|HMS1377L20|NSC50720|alpha-(p-CHLOROPHENYLTHIO)ACETAMIDE|ChemDiv2_003078|SCHEMB

Storage

Room temperature

Shipped In

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Specifications

Synonyms

30893-65-3 | 2-[(4-chlorophenyl)sulfanyl]acetamide | 2-[(4-Chlorophenyl)thio]acetamide | 2-(4-chlorophenyl)sulfanylacetamide | Acetamide, 2-[(4-chlorophenyl)thio]- | NSC 50720 | NSC 525196 | HMS1377L20 | NSC50720 | alpha-(p-CHLOROPHENYLTHIO)ACETAMIDE | ChemDiv2_003078 | SCHEMB

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1SCC(=O)N)Cl
• IUPAC Name: 2-(4-chlorophenyl)sulfanylacetamide
• InChIKey: YHZANKPQPBORBP-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClNOS/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
• Isomeric SMILES: C1=CC(=CC=C1SCC(=O)N)Cl
• Molecular Weight: 201.676
• Reaxy-Rn: 2211023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211023&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Chlorobenzenes Alkylarylthioethers Aryl chlorides Primary carboxylic acid amides Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 201.670 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.002 Da
• Monoisotopic Mass: 201.002 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 30893-65-3, the molecular formula is C8H8ClNOS, and the molecular weight is 201.676 g/mol. InChIKey YHZANKPQPBORBP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.