Believe Pharma

CAS 18991-39-4

Chemistry, 1 End Use API, 35 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

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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Methyl pyridine–3–carboxylate

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CAS Number

5470-70-2

End Use API

Etoricoxib

About the Company

Believe pharma is one of the leading manufacturers of APIs and its intermediates with multi-dimensional b...

Believe pharma is one of the leading manufacturers of APIs and its intermediates with multi-dimensional business activities. The company maintain a high standard of quality in compliance with GMP and GLP for its products manufactured at our premises and meet the regulatory requirement of our customer. We have FDA approved Quality control lab and powder processing area.

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