N-(2,4-Dichlorophenyl)thiourea - ≥97% , CAS No.6326-14-3

CAS: 6326-14-3 Cat. No.: N194316 Summenformel: C₇H₆Cl₂N₂S Molekulargewicht: 221.11 EG-Nummer: 664-918-9

GRADE & PURITY ≥97%

Synonyms

MLS000835021 | F8882-1177 | SMR000461637 | J-502908 | 1-(2,4-Dichlorophenyl)-2-thiourea | SCHEMBL653172 | MFCD00022161 | HMS2799L22 | D83812 | 1-(2,4-dichlorophenyl)thiourea | HMS566A18 | Thiourea, (2,4-dichlorophenyl)- | AKOS000369681 | Maybridge1_008642

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MLS000835021 | F8882-1177 | SMR000461637 | J-502908 | 1-(2,4-Dichlorophenyl)-2-thiourea | SCHEMBL653172 | MFCD00022161 | HMS2799L22 | D83812 | 1-(2,4-dichlorophenyl)thiourea | HMS566A18 | Thiourea, (2,4-dichlorophenyl)- | AKOS000369681 | Maybridge1_008642

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488192949

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192949

Kanonisches Lächeln

C1=CC(=C(C=C1Cl)Cl)NC(=S)N

IUPAC Name

(2,4-dichlorophenyl)thiourea

InChIKey

HSWCDFOASWNGOM-UHFFFAOYSA-N

INCHI

1S/C7H6Cl2N2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)

Isomere SMILES

C1=CC(=C(C=C1Cl)Cl)NC(=S)N

Molekulargewicht

221.11

Reaxy-Rn

2096917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Dichlorobenzenes Aryl chlorides Thioureas Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea 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

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Discover Target: TDP1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Schmelzpunkt (°C): 157-160℃
• Molekulargewicht: 221.110 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.963 Da
• Monoisotopic Mass: 219.963 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 177.000
• 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