(4-Methoxyphenyl)thiourea - ≥98%(HPLC) , CAS No.2293-07-4

CAS: 2293-07-4 Cat. No.: M158403 Molecular Weight: 182.24 EC Number: 218-931-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-(4-Methoxyphenyl)thiourea | N-(4-Methoxyphenyl)thiourea | SCHEMBL10785078 | p-Anisylthiourea | (p-Methoxyphenyl)thiourea | AKOS000113774 | F0777-0562 | UREA, 1-(p-METHOXYPHENYL)-2-THIO- | 1-(p-Methoxyphenyl)-2-thiourea | InChI=1/C8H10N2OS/c1-11-7-4-2-6(

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(4-Methoxyphenyl)thiourea | N-(4-Methoxyphenyl)thiourea | SCHEMBL10785078 | p-Anisylthiourea | (p-Methoxyphenyl)thiourea | AKOS000113774 | F0777-0562 | UREA, 1-(p-METHOXYPHENYL)-2-THIO- | 1-(p-Methoxyphenyl)-2-thiourea | InChI=1/C8H10N2OS/c1-11-7-4-2-6(

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488191021
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191021
• Canonical Smiles: COC1=CC=C(C=C1)NC(=S)N
• IUPAC Name: (4-methoxyphenyl)thiourea
• InChIKey: SRYLJBWDZZMDSK-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
• Isomeric SMILES: COC1=CC=C(C=C1)NC(=S)N
• Molecular Weight: 182.24
• Reaxy-Rn: 777238
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=777238&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thioureas Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Thiourea - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 206-210℃
• Molecular Weight: 182.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.051 Da
• Monoisotopic Mass: 182.051 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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

References

1. Qiang Chen, Chunjing Guo, Xiudi Zhou, Yanguo Su, Huimin Guo, Min Cao, Jing Li, Yue Zhang, Weiyi Zhao, Xin Gao, Shuqi Mi, Daquan Chen.  (2022)  N-acetylneuraminic acid and chondroitin sulfate modified nanomicelles with ROS-sensitive H2S donor via targeting E-selectin receptor and CD44 receptor for the efficient therapy of atherosclerosis.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:35513096] [10.1016/j.ijbiomac.2022.04.180]