CID 16211555

Base Information

• Chemical Name: CID 16211555
• CAS No.: 67944-71-2
• Molecular Formula: C3H4N3S-
• Molecular Weight: 137.141
• Hs Code.: 29309099
• Mol file: 67944-71-2.mol

Synonyms:SCHEMBL5956362

Chemical Property of CID 16211555

Chemical Property:

• Vapor Pressure: 2.38mmHg at 25°C
• Melting Point: 290oC (dec.)(lit.)
• Boiling Point: 160.5°Cat760mmHg
• Flash Point: 50.8°C
• PSA: 48.18000
• Density: g/cm³
• LogP: -0.01932
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.01018763
• Heavy Atom Count: 8
• Complexity: 111

Purity/Quality:

98%Min ^*data from raw suppliers

1-CYANO-3-METHYLISOTHIOUREA SODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)NC#N.[Na]

Technology Process of CID 16211555

There total 1 articles about CID 16211555 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:

methyl thioisocyanate (556-61-6) → N-methyl N'-cyanoisothiourea sodium salt (67944-71-2)

Guidance literature:

With ethanol;

Reference yield: 91.0%

bis-triphenylphosphine-palladium(II) chloride (13965-03-2) + N-methyl N'-cyanoisothiourea sodium salt (67944-71-2) → Pd(SCNHCNNCH3)2(P(C6H5)3)2 (375368-48-2)

Guidance literature:

In methanol; water; to suspn. of Pd-complex in MeOH was added ligand in MeOH, stirred for 24h at room temp.; filtered, washed with water, dried in vacuo; elem. anal.;

DOI:10.1016/S0020-1693(01)00473-X

Reference yield: 87.0%

(triphenylphosphine)gold(I) chloride (14243-64-2) + N-methyl N'-cyanoisothiourea sodium salt (67944-71-2) → Ph3PAuSC(=NCN)NHMe (876289-24-6)

Guidance literature:

In methanol; suspn. Ph3PAuCl and Na(MeNHC(S)NCN) in MeOH was stirred at room temp. for 48 h; water was added, solid was filtered off, washed with water and pertroleum spirits, dried under vac.; elem. anal.;

DOI:10.1016/j.ica.2005.07.046

upstream raw materials:

methyl thioisocyanate

Downstream raw materials:

N-cyano-N'-methyl-thiourea

[(η5-pentamethylcyclopentadienyl)RhCl(SC(NCN)NHMe)(triphenylarsine)]

[(η5-pentamethylcyclopentadienyl)Rh(SC(NCN)NMe)(triphenylphosphine)]

[(η5-pentamethylcyclopentadienyl)RhCl(SC(NCN)NHMe)(triphenylphosphine)]