Dimethyl 3,3′-dithiopropionimidate dihydrochloride - ≥95% , CAS No.38285-78-8

CAS: 38285-78-8 Cat. No.: D333975 Molecular Weight: 309.28 EC Number: 636-812-2 PubChem CID: 9815123

GRADE & PURITY ≥95%

Synonyms

Dimethyl 3,3'-dithio-bis(propionimidate)dihydrochloride | FT-0715975 | AKOS024375399 | dimethyl 3,3'-disulfanediyldipropanimidate dihydrochloride | methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]propanimidate;dihydrochloride | SCHEMBL317419 | Dimethyl 3,3'

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Dimethyl 3,3'-dithiopropionimidate dihydrochloride is a thiol-cleavable, homobifunctional amine-reactive crosslinker. It has been shown to react with primary amines in the pH range 7.0-10.0 to form amidine bonds.|Note that the amidine linkage preserves original primary amine (+)charge. It incorporates an 8 atom spacer arm.

Specifications

Synonyms

Dimethyl 3, 3'-dithio-bis(propionimidate)dihydrochloride | FT-0715975 | AKOS024375399 | dimethyl 3, 3'-disulfanediyldipropanimidate dihydrochloride | methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]propanimidate;dihydrochloride | SCHEMBL317419 | Dimethyl 3, 3'

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504764892
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764892
• Canonical Smiles: COC(=N)CCSSCCC(=N)OC.Cl.Cl
• IUPAC Name: methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]propanimidate;dihydrochloride
• InChIKey: CQBCVFHLZAVNPF-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O2S2.2ClH/c1-11-7(9)3-5-13-14-6-4-8(10)12-2;;/h9-10H,3-6H2,1-2H3;2*1H
• Isomeric SMILES: COC(=N)CCSSCCC(=N)OC.Cl.Cl
• WGK Germany: 3
• PubChem CID: 9815123
• Molecular Weight: 309.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboximidic acids and derivatives
      • Subclass Imidoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboximidic acids and derivatives
• Subclass: Imidoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidoesters
• Alternative Parents: Dialkyldisulfides Sulfenyl compounds Organooxygen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyldisulfide - Organic disulfide - Imido ester - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or 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

Chemical and Physical Properties

• Solubility: H2O: 50 mg/mL
• Sensitivity: Moisture sensitiv
• Melt Point(°C): 170° C
• Molecular Weight: 309.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 308.019 Da
• Monoisotopic Mass: 308.019 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 168.000
• 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: 3

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