NSC 191412 - Moligand™,≥98% , CAS No.370-16-1

CAS: 370-16-1 Cat. No.: N412272 Formula: C₁₃H₁₁FN₂S Peso molecolare: 246.31

GRADE & PURITY Moligand™, ≥98%

Synonyms

TimTec1_001536 | 1-(4-fluorophenyl)-3-phenylthiourea | CCG-234427 | DTXSID20351248 | N-(4-fluorophenyl)-N'-phenylthiourea | AF-753/00293061 | AKOS000567140 | NSC191412 | NSC-191412 | HMS1538F18 | SCHEMBL10710275 | N16900 | [(4-fluorophenyl)amino](phenylam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

NSC 191412 (1-(4-Fluorophenyl)-3-phenylthiourea) is an active compound.

Specifications

Sinonimi

TimTec1_001536 | 1-(4-fluorophenyl)-3-phenylthiourea | CCG-234427 | DTXSID20351248 | N-(4-fluorophenyl)-N'-phenylthiourea | AF-753/00293061 | AKOS000567140 | NSC191412 | NSC-191412 | HMS1538F18 | SCHEMBL10710275 | N16900 | [(4-fluorophenyl)amino](phenylam

Specifiche e purezza

Moligand™,≥98%

Meccanismi biochimici e fisiologici

NSC 191412 (1-(4-Fluorophenyl)-3-phenylthiourea) is an active compound.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F
• IUPAC Name: 1-(4-fluorophenyl)-3-phenylthiourea
• InChIKey: KTNYUNOFVOQYRB-UHFFFAOYSA-N
• INCHI: 1S/C13H11FN2S/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
• Isomeri SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F
• Peso molecolare: 246.31
• Reaxy-Rn: 2850275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2850275&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Fluorobenzenes Aryl fluorides Thioureas Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: DMSO: 45 mg/mL (182.7 mM)( < 1 mg/mL refers to the product slightly soluble or insoluble )
• Peso molecolare: 246.310 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.063 Da
• Monoisotopic Mass: 246.063 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 246.000
• 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