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CAS 13616-82-5

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 2,4-dimethylthiophenol, 13616-82-5, 2,4-dimethyl thiophenol, Benzenethiol, 2,4-dimethyl-, 2,4-xylenethiol, 2,4-thioxylenol

Molecular Formula

C₈H₁₀S

Molecular Weight

138.23 g/mol

InChI Key

AMNLXDDJGGTIPL-UHFFFAOYSA-N

FDA UNII

WUI5ZA7FV3

1 2D Structure

CAS 13616-82-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dimethylbenzenethiol

2.1.2 InChI

InChI=1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3

2.1.3 InChI Key

AMNLXDDJGGTIPL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)S)C

2.2 Other Identifiers

2.2.1 UNII

WUI5ZA7FV3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2,4-dimethylthiophenol

2. 13616-82-5

3. 2,4-dimethyl Thiophenol

4. Benzenethiol, 2,4-dimethyl-

5. 2,4-xylenethiol

6. 2,4-thioxylenol

7. Wui5za7fv3

8. Mfcd00010019

9. Nsc-202925

10. 4-mercapto-m-xylene

11. 2,4-dimethylbenzene-1-thiol

12. 4-methylthiocresol

13. M-xylene-4-thiol

14. Einecs 237-100-0

15. Nsc202925

16. Nsc 202925

17. Benzenethiol,dimethyl-

18. 2.4-dimethyl-thiophenol

19. Benzenethiol,4-dimethyl-

20. Unii-wui5za7fv3

21. 2,4-dimethyl-benzenethiol

22. Thioxylenol (mixed Isomers)

23. Schembl234687

24. Dtxsid5065560

25. 2,4-dimethylbenzenethiol, 95%

26. Bcp08967

27. Zinc19230165

28. Akos000120705

29. Ps-6000

30. Ac-29254

31. Bp-10122

32. Db-042334

33. Cs-0010544

34. D2648

35. Ft-0610149

36. D81744

37. J-507244

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀S
Molecular Weight	138.23 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	1
Heavy Atom Count	9
Formal Charge	0
Complexity	90.6
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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CAS Number

1493-27-2

End Use API

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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