Carbamodithioic acid, (phenylmethyl)-

Base Information

• Chemical Name: Carbamodithioic acid, (phenylmethyl)-
• CAS No.: 15867-06-8
• Molecular Formula: C8H9NS2
• Molecular Weight: 183.298
• DSSTox Substance ID: DTXSID50388764
• Nikkaji Number: J28.383E
• ChEMBL ID: CHEMBL2027898
• Mol file: 15867-06-8.mol

Synonyms:benzyldithiocarbamate sodium salt;benzyldithiocarbamic acid

Chemical Property of Carbamodithioic acid, (phenylmethyl)-

Chemical Property:

• Boiling Point: 283.2±33.0 °C(Predicted)
• PSA: 89.96000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 2.40220
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.01764164
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=S)S

Technology Process of Carbamodithioic acid, (phenylmethyl)-

There total 1 articles about Carbamodithioic acid, (phenylmethyl)- 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:

carbon disulfide (75-15-0,12122-00-8) + benzylamine (100-46-9) → N-benzyldithiocarbamic acid (15867-06-8)

Guidance literature:

Reference yield: 96.0%

N-benzyldithiocarbamic acid (15867-06-8) → Benzyl isothiocyanate (622-78-6)

Guidance literature:

With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; triethylamine; In acetonitrile; Cooling with ice;

DOI:10.1080/00397910903219476

Reference yield: 72.0%

Phenyl azide (622-37-7) + N-benzyldithiocarbamic acid (15867-06-8) → 1-benzyl-3-phenylthiourea (726-25-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 6h; Solvent;

DOI:10.1039/c8ob00239h

upstream raw materials:

carbon disulfide

benzylamine

Downstream raw materials:

3-Benzyl-tetrahydro-1,3-thiazin-2-thion

1,3-dibenzylthiocarbamide

benzylamine

4-Benzyl-3-[(Z)-benzylimino]-5-[(Z)-tert-butylimino]-[1,2,4]dithiazolidine