Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio-

Base Information

• Chemical Name: Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio-
• CAS No.: 6297-19-4
• Molecular Formula: C9H13N3S
• Molecular Weight: 195.288
• Hs Code.: 2930909090
• NSC Number: 17314
• UNII: 6BB91611R1
• DSSTox Substance ID: DTXSID20212168
• Nikkaji Number: J48.276E
• Mol file: 6297-19-4.mol

Synonyms:1,1-dimethyl-4-phenylthiosemicarbazide

Chemical Property of Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio-

Chemical Property:

• Vapor Pressure: 0.00571mmHg at 25°C
• Boiling Point: 273.5°C at 760 mmHg
• Flash Point: 119.2°C
• PSA: 59.39000
• Density: 1.198g/cm³
• LogP: 1.91350
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 195.08301860
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)NC(=S)NC1=CC=CC=C1

Technology Process of Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio-

There total 2 articles about Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio- 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: 98.0%

phenyl isothiocyanate (103-72-0) + N,N-Dimethylhydrazine (57-14-7) → 1,1-dimethylamino-3-phenyl thiosemicarbazide (6297-19-4)

Guidance literature:

In diethyl ether; at 20 ℃; for 0.25h;

DOI:10.1002/chem.200801446

Reference yield:

→ 1,1-dimethylamino-3-phenyl thiosemicarbazide (6297-19-4)

Guidance literature:

aus 1,1-Dimethylhydrazin, Phenylisothiocyanat;

Reference yield: 95.0%

1,1-dimethylamino-3-phenyl thiosemicarbazide (6297-19-4) → 5-(2,2-dimethylhydrazono)-N,N-dimethyl-4-phenyl-3-(phenylimino)-1,2,4-thiadiazolidin-2-amine

Guidance literature:

1,1-dimethylamino-3-phenyl thiosemicarbazide; With hydrogenchloride; sodium nitrate; In water; at 20 ℃; for 0.75h;

With ammonia; In water;

DOI:10.1002/chem.200801446

upstream raw materials:

phenyl isothiocyanate

N,N-Dimethylhydrazine

Downstream raw materials:

2,4-bis-dimethylamino-N,N'-diphenyl-[1,2,4]thiadiazolidine-3,5-diylidenediamine

2-(2,2-dimethylhydrazono)-3-phenylthiazolidin-4-one

[2-(Dimethyl-hydrazono)-4-oxo-3-phenyl-thiazolidin-(5Z)-ylidene]-acetic acid methyl ester

2-phenylamino-4,4-dimethyl-Δ²-1,3,4-thiadiazolin-4-io-5-acetate