(4-Chlorophenyl)thiourea - ≥97%(HPLC) , CAS No.3696-23-9

CAS: 3696-23-9 Cat. No.: C153740 Formula: C₇H₇ClN₂S Peso molecolare: 186.66 Numero EC: 223-022-4

GRADE & PURITY ≥97%(HPLC)

Synonyms

Thourea, (4-chlorophenyl)- (9CI) | Z56939186 | 4-Chlorophenyl thiourea | MFCD00022168 | A823483 | C2960 | CF-0053 | Urea, 1-(p-chlorophenyl)-2-thio- | 1-(4-Chlorophenyl)-2-thiourea | F3143-0092 | N-(p-Chlorophenyl)thiourea | NSC72217 | NSC-72217 | XVEFWRU

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Thourea, (4-chlorophenyl)- (9CI) | Z56939186 | 4-Chlorophenyl thiourea | MFCD00022168 | A823483 | C2960 | CF-0053 | Urea, 1-(p-chlorophenyl)-2-thio- | 1-(4-Chlorophenyl)-2-thiourea | F3143-0092 | N-(p-Chlorophenyl)thiourea | NSC72217 | NSC-72217 | XVEFWRU

Specifiche e purezza

≥97%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(HPLC)

Nomi e identificatori

• Pubchem Sid: 504760027
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760027
• Sorrisi canonici: C1=CC(=CC=C1NC(=S)N)Cl
• IUPAC Name: (4-chlorophenyl)thiourea
• InChIKey: XVEFWRUIYOXUGG-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
• Isomeri SMILES: C1=CC(=CC=C1NC(=S)N)Cl
• RTECS: YS7175000
• Numero UN: UN2811
• Gruppo di imballaggio: II
• Peso molecolare: 186.66
• Reaxy-Rn: 973258
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973258&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: Chlorobenzenes Aryl chlorides Thioureas Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - 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

Obiettivi associati (non umani)

B16 (5829 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 169-173℃
• Peso molecolare: 186.660 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.002 Da
• Monoisotopic Mass: 186.002 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 143.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. 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 3696-23-9, the molecular formula is C7H7ClN2S, and the molecular weight is 186.66 g/mol. InChIKey XVEFWRUIYOXUGG-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.