CAS 111974-73-3

Phenyl [2-(phenylthio)phenyl]carbamate

Description:

Phenyl [2-(phenylthio)phenyl]carbamate, identified by its CAS number 111974-73-3, is an organic compound characterized by its carbamate functional group, which is linked to a phenyl ring and a phenylthio substituent. This compound typically exhibits a solid state at room temperature and is soluble in organic solvents, reflecting its aromatic nature. The presence of the phenylthio group enhances its chemical reactivity and may influence its biological activity, making it of interest in various fields, including medicinal chemistry and materials science. The compound's structure suggests potential applications in drug development, particularly in the design of inhibitors or modulators due to the presence of the carbamate moiety, which is known for its ability to form hydrogen bonds and interact with biological targets. Additionally, its stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in both laboratory and industrial settings. Overall, this compound represents a unique combination of structural features that may lend itself to diverse applications in chemical research.

Formula: C₁₉H₁₅NO₂S

InChI: InChI=1S/C19H15NO2S/c21-19(22-15-9-3-1-4-10-15)20-17-13-7-8-14-18(17)23-16-11-5-2-6-12-16/h1-14H,(H,20,21)

InChI key: InChIKey=FWULFEHVLSQUBD-UHFFFAOYSA-N

SMILES: S(C1=C(NC(OC2=CC=CC=C2)=O)C=CC=C1)C3=CC=CC=C3

Synonyms:

• Carbamic acid, [2-(phenylthio)phenyl]-, phenyl ester
• Phenyl [2-(phenylthio)phenyl]carbamate
• carbamic acid, N-[2-(phenylthio)phenyl]-, phenyl ester

Carbamic acid, N-[2-(phenylthio)phenyl]-, phenyl ester

CAS: 111974-73-3

Carbamic acid, N-[2-(phenylthio)phenyl]-, phenyl ester

Purity: 98%

Molecular weight: 321.4g/mol

Ref: 54-OR1068350

Quetiapine Impurity 18

CAS: 111974-73-3

Formula: C₁₉H₁₅NO₂S

Color and Shape: Off-White Solid

Molecular weight: 321.39

Ref: 4Z-Q-0114

Phenyl N-[(2-Phenylsulfanyl)phenyl]carbamate

CAS: 111974-73-3

Color and Shape: Neat

Ref: 86-MM1130.43

Phenyl (2-(phenylthio)phenyl)carbamate

CAS: 111974-73-3

Formula: C₁₉H₁₅NO₂S

Molecular weight: 321.39

Ref: ST-EA-CP-Q1033

Phenyl[2-phenylthio)phenyl]carbamate

Controlled Product

CAS: 111974-73-3

Applications Phenyl[2-phenylthio)phenyl]carbamate is an intermediate utilized for the synthesis of Quetiapine Hemifumarate (Q510000), an atypical antipsychotic agent used for the treatment of patients with schizophrenia, biopolar disorder and to treat major depressive disorder.
References Niphade, N.C., et al.: Org. Proc. Rsch. Dev., 13, 792 (2009); Stolarczyk, E.U., et al.: Pharm. Dev. Tech., 14, 27 (2009);

Formula: C₁₉H₁₅NO₂S

Color and Shape: Off-White

Molecular weight: 321.39

Ref: TR-P335965