CAS 74863-82-4

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CHEMISTRY

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Chemistry

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Also known as: 74863-82-4, 3-methyl-8-quinolinesulphonyl chloride, 3-methyl-8-quinolinesulfonyl chloride, 8-quinolinesulfonyl chloride, 3-methyl-, 8-chlorosulfonyl-3-methylquinoline, Mfcd02683367

Molecular Formula

C₁₀H₈ClNO₂S

Molecular Weight

241.69 g/mol

InChI Key

XCMAYGDQKTWICK-UHFFFAOYSA-N

FDA UNII

D6J3GW33J6

1 2D Structure

CAS 74863-82-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methylquinoline-8-sulfonyl chloride

2.1.2 InChI

InChI=1S/C10H8ClNO2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-6H,1H3

2.1.3 InChI Key

XCMAYGDQKTWICK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(C(=CC=C2)S(=O)(=O)Cl)N=C1

2.2 Other Identifiers

2.2.1 UNII

D6J3GW33J6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 74863-82-4

2. 3-methyl-8-quinolinesulphonyl Chloride

3. 3-methyl-8-quinolinesulfonyl Chloride

4. 8-quinolinesulfonyl Chloride, 3-methyl-

5. 8-chlorosulfonyl-3-methylquinoline

6. Mfcd02683367

7. 3-methyl-quinoline-8-sulfonyl Chloride

8. 4-nitrobenzenesulfenylchloride

9. D6j3gw33j6

10. Schembl1161161

11. Dtxsid00393787

12. Xcmaygdqktwick-uhfffaoysa-n

13. Bcp13829

14. Akos009116157

15. Cs-w023078

16. Sb12302

17. Ac-32102

18. Am804317

19. As-15543

20. Sy023549

21. A9569

22. Ft-0616115

23. En300-26987

24. 3-methyl-8-quinolinesulfonyl Chloride, Aldrichcpr

25. J-512884

2.4 Create Date

2005-09-09

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈ClNO₂S
Molecular Weight	241.69 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.4
Heavy Atom Count	15
Formal Charge	0
Complexity	325
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