Amidinothiourea - ≥98% , CAS No.2114-02-5

CAS: 2114-02-5 Cat. No.: A111256 Formule: C₂H₆N₄S Poids moléculaire: 118.16 Numéro CE: 218-308-0

QUALITÉ & PURETÉ ≥98%

Synonyms

2-Imino-4-thiobiuret, 99% | Amidinothiourea | EN300-34314 | guanyl isothiourea | (diaminomethylidene)thiourea | 1-(diaminomethylene)thiourea | EINECS 218-308-0 | E75731 | BBL008942 | diaminomethylidenethiourea | N-Amidinothiourea | N-amidino-thiourea | 1-

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Application

2-Imino-4-thiobiuret is used in the design and synthesis of guanylthiourea derivatives which are potential inhibitors of plasmodium falciparum dihydrofolate reductase enzyme. 2-Imino-4-thiobiuret is also used as a reagent in recyclization reactions of N-arylmaleimides with polynucleophilic compounds.

Spécifications

Synonymes

2-Imino-4-thiobiuret, 99% | Amidinothiourea | EN300-34314 | guanyl isothiourea | (diaminomethylidene)thiourea | 1-(diaminomethylene)thiourea | EINECS 218-308-0 | E75731 | BBL008942 | diaminomethylidenethiourea | N-Amidinothiourea | N-amidino-thiourea | 1-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488192282

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192282

Sourires canoniques

C(=NC(=S)N)(N)N

IUPAC Name

diaminomethylidenethiourea

InChIKey

OKGXJRGLYVRVNE-UHFFFAOYSA-N

INCHI

1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)

Isomères SMILES

C(=NC(=S)N)(N)N

WGK Allemagne

3

RTECS

YR8250000

Poids moléculaire

118.16

Reaxy-Rn

3587727

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3587727&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organosulfur compounds Organopnictogen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (70g/L).
• Point de fusion (°C): 160-164°C
• Poids moléculaire: 118.160 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.031 Da
• Monoisotopic Mass: 118.031 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 102.000
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2114-02-5, the molecular formula is C2H6N4S, and the molecular weight is 118.16 g/mol. InChIKey OKGXJRGLYVRVNE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.