(S)-4-Benzylthiazolidine-2-thione - ≥98% , CAS No.171877-39-7

CAS: 171877-39-7 Cat. No.: S464076 Molecular Weight: 209.33

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1842009 | (s)-4-benzyl-1,3-thiazolidine-2-thione | AC-28074 | AS-18159 | C10H11NS2 | AKOS016842455 | J-010776 | (S)-4-Benzyl-thiazolidine-2-thione | (S)-4-Benzylthiazolidine-2-thione | (4S)-4-benzyl-1,3-thiazolidine-2-thione | DTXSID70466513 | MFCD

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

Evans-Type Oxazolidinethione And Thiazolidinethione AuxiliariesA highly selective and efficient chiral auxiliary which can be directly reduced to its corresponding aldehyde and the chiral auxiliary by reductive cleavage with diisobutylaluminum hydride.

Specifications

Synonyms

SCHEMBL1842009 | (s)-4-benzyl-1, 3-thiazolidine-2-thione | AC-28074 | AS-18159 | C10H11NS2 | AKOS016842455 | J-010776 | (S)-4-Benzyl-thiazolidine-2-thione | (S)-4-Benzylthiazolidine-2-thione | (4S)-4-benzyl-1, 3-thiazolidine-2-thione | DTXSID70466513 | MFCD

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197526
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197526
• Canonical Smiles: C1C(NC(=S)S1)CC2=CC=CC=C2
• IUPAC Name: (4S)-4-benzyl-1,3-thiazolidine-2-thione
• InChIKey: SLDUGQISGRPGAW-VIFPVBQESA-N
• INCHI: 1S/C10H11NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1
• Isomeric SMILES: C1[C@@H](NC(=S)S1)CC2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 209.33
• Reaxy-Rn: 1102913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1102913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Thiazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Thiazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolidinethiones
• Alternative Parents: Benzene and substituted derivatives Cyclic dithiocarbamic acid esters Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Thiazolidinethione - Monocyclic benzene moiety - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolidinethiones. These are heterocyclic compounds containing a thiazolidinethione ring which bears one thioketone 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

• Sensitivity: Air sensitive
• Molecular Weight: 209.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.033 Da
• Monoisotopic Mass: 209.033 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 187.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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