4-Methyl Thio Benzyl Cyanide

Modify Date: 2025-08-25 16:57:52

4-Methyl Thio Benzyl Cyanide Structure
4-Methyl Thio Benzyl Cyanide structure
 Common Name 4-Methyl Thio Benzyl Cyanide
CAS Number 18991-39-4 Molecular Weight 163.23900
Density 1.119 g/cm3 Boiling Point 275.5ºC at 760 mmHg
Molecular Formula C9H9NS Melting Point N/A
MSDS N/A Flash Point 120.4ºC

 Names

Name (4-methylphenyl)methyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.119 g/cm3
Boiling Point 275.5ºC at 760 mmHg
Molecular Formula C9H9NS
Molecular Weight 163.23900
Flash Point 120.4ºC
Exact Mass 163.04600
PSA 49.09000
LogP 2.70928
Vapour Pressure 0.00508mmHg at 25°C
Index of Refraction 1.579
InChIKey DFKZGPBKYUQGAY-UHFFFAOYSA-N
SMILES Cc1ccc(CSC#N)cc1

 Safety Information

Hazard Codes Xi
HS Code 2930909090

 Synthetic Route

ammonium;thiocyanate structure

ammonium;thiocyanate

CAS#:1147550-11-5

4-Methylbenzyl bromide structure

4-Methylbenzyl ...

CAS#:104-81-4

~89%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Meshram; Thakur, Pramod B.; Madhu Babu; Bangade, Vikas M. Tetrahedron Letters, 2012 , vol. 53, # 14 p. 1780 - 1785
ammonium;thiocyanate structure

ammonium;thiocyanate

CAS#:1147550-11-5

trimethyl-[(4-methylphenyl)methoxy]silane structure

trimethyl-[(4-m...

CAS#:89200-92-0

~93%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Iranpoor; Firouzabadi; Shaterian Synlett, 2000 , # 1 p. 65 - 66
Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

4-Methylbenzyl chloride structure

4-Methylbenzyl ...

CAS#:104-82-5

~91%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Kodomari, Mitsuo; Kuzuoka, Tetsuo; Yoshitomi, Suehiko Synthesis, 1983 , # 2 p. 141 - 142
zinc thiocyanate structure

zinc thiocyanate

CAS#:557-42-6

4-Methylbenzyl bromide structure

4-Methylbenzyl ...

CAS#:104-81-4

~90%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Bound, D. James; Bettadaiah; Srinivas Synthetic Communications, 2013 , vol. 43, # 8 p. 1138 - 1144
1-(4-methylbenzyl)-2-(methylthio)-4,6-diphenylpyridin-1-ium thiocyanate structure

1-(4-methylbenz...

CAS#:83319-09-9

~66%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Molina, P.; Alajarin, M.; Ferao, A.; Lidon, M. J.; Fresneda, P. M.; Vilaplana, M. J. Synthesis, 1982 , # 6 p. 472 - 475
mercuric thiocyanate structure

mercuric thiocyanate

CAS#:592-85-8

4-Methylbenzyl bromide structure

4-Methylbenzyl ...

CAS#:104-81-4

~%

Benzene, 1-(isothiocyanatomethyl)-4-methyl- structure

Benzene, 1-(iso...

CAS#:3694-46-0

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Journal of Organic Chemistry, , vol. 55, # 6 p. 1801 - 1805
1-(4-methylbenzyl)-2-(methylthio)-4,6-diphenylpyridin-1-ium iodide structure

1-(4-methylbenz...

CAS#:76950-78-2

~%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Synthesis, , # 6 p. 472 - 475
Potassium thiocyanate structure

Potassium thioc...

CAS#:333-20-0

~%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Chem. Zentralbl., , vol. 80, # II p. 1551
Benzene, 1-(isothiocyanatomethyl)-4-methyl- structure

Benzene, 1-(iso...

CAS#:3694-46-0

~%

4-Methyl Thio Benzyl Cyanide Structure

4-Methyl Thio B...

CAS#:18991-39-4

Literature: Journal of Organic Chemistry, , vol. 38, # 22 p. 3922 - 3924

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

p-Tolubenzylrhodanid
4-Methyl-benzylthiocyanat
p-methylbenzyl thiocyanate
Thiocyansaeure-p-tolubenzylester
4-methyl-benzyl thiocyanate
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