3,4-Dimethylbenzyl isothiocyanate

Base Information

• Chemical Name: 3,4-Dimethylbenzyl isothiocyanate
• CAS No.: 206559-59-3
• Molecular Formula: C₁₀H₁₁NS
• Molecular Weight: 177.27
• DSSTox Substance ID: DTXSID101258152

Synonyms:3,4-Dimethylbenzyl isothiocyanate;4-(Isothiocyanatomethyl)-1,2-dimethylbenzene;SCHEMBL5788512;DTXSID101258152;4-(Isothiocyanatomethyl)-1,2-dimethylbenzene #;206559-59-3

Chemical Property of 3,4-Dimethylbenzyl isothiocyanate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.06122053
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CN=C=S)C

Technology Process of 3,4-Dimethylbenzyl isothiocyanate

There total 1 articles about 3,4-Dimethylbenzyl isothiocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,4-Dimethylbenzylamin (102-48-7) → 4-isothiocyanatomethyl-1,2-dimethyl-benzene (206559-59-3)

Guidance literature:

Reference yield:

4-isothiocyanatomethyl-1,2-dimethyl-benzene (206559-59-3) → (3,4-dimethyl-benzyl)-thiourea (103385-91-7)

Guidance literature:

With ammonia;

Reference yield:

4,5-Dihydro-thiazol-2-ylamin (1779-81-3) + 4-isothiocyanatomethyl-1,2-dimethyl-benzene (206559-59-3) → 1-(4,5-dihydro-thiazol-2-yl)-3-(3,4-dimethyl-benzyl)-thiourea (107622-25-3)

Guidance literature:

In ethanol;

upstream raw materials:

3,4-Dimethylbenzylamin

Downstream raw materials:

(3,4-dimethyl-benzyl)-thiourea

1-(4,5-dihydro-thiazol-2-yl)-3-(3,4-dimethyl-benzyl)-thiourea

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