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CAS 1019453-85-0

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 1019453-85-0, 2-[(2,4-dimethylphenyl)sulfanyl]aniline, 2-(2,4-dimethylphenyl)sulfanylaniline, 2-((2,4-dimethylphenyl)thio)phenylamine, 2-(2,4-dimethylphenylthio)benzenamine, Benzenamine, 2-[(2,4-dimethylphenyl)thio]-

Molecular Formula

C₁₄H₁₅NS

Molecular Weight

229.34 g/mol

InChI Key

BJHMYQKFVFJZDC-UHFFFAOYSA-N

1 2D Structure

CAS 1019453-85-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2,4-dimethylphenyl)sulfanylaniline

2.1.2 InChI

InChI=1S/C14H15NS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,15H2,1-2H3

2.1.3 InChI Key

BJHMYQKFVFJZDC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1019453-85-0

2. 2-[(2,4-dimethylphenyl)sulfanyl]aniline

3. 2-(2,4-dimethylphenyl)sulfanylaniline

4. 2-((2,4-dimethylphenyl)thio)phenylamine

5. 2-(2,4-dimethylphenylthio)benzenamine

6. Benzenamine, 2-[(2,4-dimethylphenyl)thio]-

7. Schembl14723181

8. Dtxsid10651401

9. 2-(2,4-dimethylphenylthio)aniline

10. Mfcd11132336

11. Akos000215256

12. Ds-12247

13. Cs-0153314

14. Ft-0700813

15. J3.556.218d

16. En300-6497671

17. A910226

18. Z330803132

2.3 Create Date

2009-05-28

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₅NS
Molecular Weight	229.34 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.3
Heavy Atom Count	16
Formal Charge	0
Complexity	219
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

Vortioxetine Hydrobromide

About the Company

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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