2-(1H-Indazol-6-Ylsulfanyl)-N-Methylbenzamide

Chemistry, 1 End Use API, 17 Related Intermediates

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Also known as: 944835-85-2, 2-((1h-indazol-6-yl)thio)-n-methylbenzamide, Axitinib impurity 8, 2-(1h-indazol-6-ylsulfanyl)-n-methylbenzamide, Benzamide, 2-(1h-indazol-6-ylthio)-n-methyl-, 2-(1h-indazol-6-ylthio)-n-methylbenzamide

Molecular Formula

C₁₅H₁₃N₃OS

Molecular Weight

283.4 g/mol

InChI Key

JBFLDDCNCFRBIG-UHFFFAOYSA-N

1 2D Structure

2-(1H-Indazol-6-Ylsulfanyl)-N-Methylbenzamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide

2.1.2 InChI

InChI=1S/C15H13N3OS/c1-16-15(19)12-4-2-3-5-14(12)20-11-7-6-10-9-17-18-13(10)8-11/h2-9H,1H3,(H,16,19)(H,17,18)

2.1.3 InChI Key

JBFLDDCNCFRBIG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C=NN3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 944835-85-2

2. 2-((1h-indazol-6-yl)thio)-n-methylbenzamide

3. Axitinib Impurity 8

4. 2-(1h-indazol-6-ylsulfanyl)-n-methylbenzamide

5. Benzamide, 2-(1h-indazol-6-ylthio)-n-methyl-

6. 2-(1h-indazol-6-ylthio)-n-methylbenzamide

7. 2-(1h-indazol-6-ylthio)-n-methyl- Benzamide

8. Schembl13446109

9. Mfcd23104312

10. Zinc34639527

11. As-47073

12. F11881

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₃N₃OS
Molecular Weight	283.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	283.07793322 g/mol
Monoisotopic Mass	283.07793322 g/mol
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	352
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Guangdong Raffles PharmaTech Co Ltd

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CAS Number

944835-85-2

Intermediate Name

2-(1H-indazol-6-ylthio)-N-methyl-Be...

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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