(R)-4-Benzylthiazolidine-2-thione - ≥97% , CAS No.110199-17-2

CAS: 110199-17-2 Cat. No.: B119132 Molecular Weight: 209.33 EC Number: 813-588-6

GRADE & PURITY ≥97%

Synonyms

(r)-4-benzyl-thiazolidine-2-thione | (R)-4-Benzylthiazolidine-2-thione | DTXSID10429501 | (4R)-4-benzyl-1,3-thiazolidine-2-thione | AMY14351 | (R)-4-Benzyl-1,3-thiazolidine-2-thione | AKOS015920469 | BCP11242 | MFCD06658217 | SCHEMBL10767075 | C10H11NS2 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

A 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

(r)-4-benzyl-thiazolidine-2-thione | (R)-4-Benzylthiazolidine-2-thione | DTXSID10429501 | (4R)-4-benzyl-1, 3-thiazolidine-2-thione | AMY14351 | (R)-4-Benzyl-1, 3-thiazolidine-2-thione | AKOS015920469 | BCP11242 | MFCD06658217 | SCHEMBL10767075 | C10H11NS2 |

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C(NC(=S)S1)CC2=CC=CC=C2
• IUPAC Name: (4R)-4-benzyl-1,3-thiazolidine-2-thione
• InChIKey: SLDUGQISGRPGAW-SECBINFHSA-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-/m1/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
• Specific Rotation[α]: +117-127°
• 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