2-Mercapto-N-methylbenzamide , 98% , 20054-45-9

CAS NO.：20054-45-9

Empirical Formula: C8H9NOS

Molecular Weight: 167.23

MDL number: MFCD00136334

EINECS: 633-825-5

PRODUCT Properties

• Melting point: 94-96 °C
• Boiling point: 326.2±25.0 °C(Predicted)
• Density: 1.174
• storage temp.: 2-8°C
• solubility: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
• form: Solid
• pka: 5.89±0.43(Predicted)
• color: Off-White to Pale Beige
• Stability: Air Sensitive
• InChI: InChI=1S/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)
• InChIKey: VIFOAZNEQRHREM-UHFFFAOYSA-N
• SMILES: C(NC)(=O)C1=CC=CC=C1S
• LogP: 1.360 (est)

Description and Uses

N-methyl-2-sulfanylbenzamide is an axitinib intermediate.

2-Mercapto-N-methyl-benzamide is an intermediate used to prepare axitinib (A794650) which is a tyrosine kinase inhibitor. Axitinib is used in cancer therapy.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H317-H318
• Precautionary statements: P261-P272-P280-P302+P352-P305+P351+P338-P501
• HS Code: 2930909899