Anupam Rasayan India Ltd | CAS 18991-39-4 | Related Intermediates | Manufacturers & Suppliers

CAS 18991-39-4

Chemistry, 1 End Use API, 35 Related Intermediates

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Also known as: 18991-39-4, (4-methylphenyl)methyl thiocyanate, 1-methyl-4-(thiocyanatomethyl)benzene, 4-methyl thio benzyl cyanide, Thiocyanic acid, p-methylbenzyl ester, {[(4-methylphenyl)methyl]sulfanyl}carbonitrile

Molecular Formula

C₉H₉NS

Molecular Weight

163.24 g/mol

InChI Key

DFKZGPBKYUQGAY-UHFFFAOYSA-N

1 2D Structure

CAS 18991-39-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-methylphenyl)methyl thiocyanate

2.1.2 InChI

InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6H2,1H3

2.1.3 InChI Key

DFKZGPBKYUQGAY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)CSC#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 18991-39-4

2. (4-methylphenyl)methyl Thiocyanate

3. 1-methyl-4-(thiocyanatomethyl)benzene

4. 4-methyl Thio Benzyl Cyanide

5. Thiocyanic Acid, P-methylbenzyl Ester

6. {[(4-methylphenyl)methyl]sulfanyl}carbonitrile

7. P-methylbenzyl Thiocyanate

8. P-xylylsulfocyanat

9. Schembl7939411

10. Dtxsid60172419

11. Zinc6070877

12. Methyl4,4-biphenyl-r-alanate

13. Akos006291308

14. Cs-0036549

15. Ft-0682178

16. Thiocyanic Acid (4-methylphenyl)methyl Ester

17. A815625

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NS
Molecular Weight	163.24 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	163.04557046 g/mol
Monoisotopic Mass	163.04557046 g/mol
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150
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

221615-75-4

End Use API

Etoricoxib

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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