2-Iminothiolane hydrochloride - ≥95% , CAS No.4781-83-3

CAS: 4781-83-3 Cat. No.: I492458 Fórmula: C₄H₇NS·HCl Peso molecular: 137.63 Beilstein Registry Number: 3620079 Número EC: 800-330-2

GRADE & PURITY ≥95%

Synonyms

2IT | 2(3H)-Thiophenimine, hydrochloride | NCGC00260958-01 | 2-IT | Orafuran | Trauts reagent | Traut's reagent | AKOS015898834 | DTXSID60524217 | 2(3H)-Thiophenimine, dihydrochloride | PD171658 | 2-Iminothiolane hydrochloride | ATGUDZODTABURZ-UHFFFAOYSA-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Describtion:

2-Iminothiolane, Hydrochloride is a thiolating agent that is useful in cross-linking proteins.
A thiolane derivitization agent.

Odor unpleasant, sulfurous

Product application：

2-Iminothiolane hydrochloride has been used in the synthesis of thiolated PEG (poly(ethylene glycol). It may be used to synthesize PLA-SH (polyethylene glycol-thiol) and PLA-PEG-SH (polyethylene glycol–polylactic acid-thiol).

Thiolating reagent for primary amines. Reacts at pH 7-10 by amidine bond to present free sulfhydryl. Useful in preparation of disulfide and/or thioether linked conjugates.

Specifications

Sinónimos

2IT | 2(3H)-Thiophenimine, hydrochloride | NCGC00260958-01 | 2-IT | Orafuran | Trauts reagent | Traut's reagent | AKOS015898834 | DTXSID60524217 | 2(3H)-Thiophenimine, dihydrochloride | PD171658 | 2-Iminothiolane hydrochloride | ATGUDZODTABURZ-UHFFFAOYSA-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

508808045

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808045

Sonrisas canónicas

C1CC(=N)SC1.Cl

IUPAC Name

thiolan-2-imine;hydrochloride

InChIKey

ATGUDZODTABURZ-UHFFFAOYSA-N

INCHI

1S/C4H7NS.ClH/c5-4-2-1-3-6-4;/h5H,1-3H2;1H

Isómeros SMILES

C1CC(=N)SC1.Cl

WGK Alemania

3

Peso molecular

137.63

Beilstein

3620079

Reaxy-Rn

3620079

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3620079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Imidothioesters
      • Subclass Imidothiolactones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Imidothioesters
• Subclass: Imidothiolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidothiolactones
• Alternative Parents: Thiolanes Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidothiolactone - Thiolane - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidothiolactones. These are analogs of imidolactones where the oxygen atom is replaced by a sulfur atom. They have the general structure RC(=N)SR' where the central carbon atom is part of a ring. R,R' = organyl 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol and Water.
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 198-201°C
• Peso molecular: 137.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.007 Da
• Monoisotopic Mass: 137.007 Da
• Topological Polar Surface Area: 49.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 69.900
• 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: 2

XLogP3