2-(Methylthio)-2-thiazoline - ≥98% , CAS No.19975-56-5

CAS: 19975-56-5 Cat. No.: M123595 Molecular Weight: 133.24 Beilstein Registry Number: 106353 EC Number: 243-447-9

GRADE & PURITY ≥98%

Synonyms

FT-0660771 | NSC 196203 | 2-(Methylsulfanyl)-4,5-dihydrothiazole | 2-(methylthio)-1,3-thiazoline | 2-methylthiothiazoline | DTXSID50173773 | InChI=1/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3 | SCHEMBL4865055 | A852435 | SY053147 | 2-Methylthio-2-thiazoline | Ca

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Application：

2-(Methylthio)-2-thiazoline has been used in the preparation of: 

novel tri- and tetracyclic hetero systems, via reaction with heteroaromatic 

2-aminoesters 2-(2-chlorobenzylamino)-2-thiazoline

Specifications

Synonyms

FT-0660771 | NSC 196203 | 2-(Methylsulfanyl)-4, 5-dihydrothiazole | 2-(methylthio)-1, 3-thiazoline | 2-methylthiothiazoline | DTXSID50173773 | InChI=1/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2, 1H3 | SCHEMBL4865055 | A852435 | SY053147 | 2-Methylthio-2-thiazoline | Ca

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755933
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755933
• Canonical Smiles: CSC1=NCCS1
• IUPAC Name: 2-methylsulfanyl-4,5-dihydro-1,3-thiazole
• InChIKey: QFGRBBWYHIYNIB-UHFFFAOYSA-N
• INCHI: 1S/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3
• Isomeric SMILES: CSC1=NCCS1
• WGK Germany: 3
• Molecular Weight: 133.24
• Beilstein: 106353
• Reaxy-Rn: 106353
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106353&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Thiazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Thiazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolines
• Alternative Parents: Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-thiazoline - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.
• 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: Light sensitive
• Refractive Index: 1.59
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 97°C
• Boil Point(°C): 217°C
• Molecular Weight: 133.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 133.002 Da
• Monoisotopic Mass: 133.002 Da
• Topological Polar Surface Area: 63.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 89.700
• 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