Thiophamine

Base Information

• Chemical Name: Thiophamine
• CAS No.: 27079-29-4
• Molecular Formula: C9H11 N3 O2 S
• Molecular Weight: 225.27
• UNII: 0871K2HV9N
• DSSTox Substance ID: DTXSID10181551
• Nikkaji Number: J10.661E
• Wikidata: Q27236380
• Mol file: 27079-29-4.mol

Synonyms:27079-29-4;Thiophamine;Methyl [(2-aminophenyl)carbamothioyl]carbamate;2-(3-methoxycarbonylthioureido)aniline;NF 48;Methyl 4-(o-aminophenyl)-3-thioallophanate;methyl N-[(2-aminophenyl)carbamothioyl]carbamate;2-(3-Carbomethoxythioureido)aniline;BRN 0658056;2-(3-(Methoxycarbonyl)thioureido)aniline;N-(3-Methoxycarbonyl-2-thioureido)aniline;UNII-0871K2HV9N;2-Amino((methoxycarbonyl)thioureido)benzene;0871K2HV9N;Carbamic acid, [[(2-aminophenyl)amino]thioxomethyl]-, methyl ester;NF-48;ALLOPHANIC ACID, 4-(o-AMINOPHENYL)-3-THIO-, METHYL ESTER;Carbamic acid, (((2-aminophenyl)amino)thioxomethyl)-, methyl ester;METHYL N-((2-AMINOPHENYL)CARBAMOTHIOYL)CARBAMATE;SCHEMBL10905206;DTXSID10181551;YTGVAKDRFRGYAM-UHFFFAOYSA-N;CBA07929;MFCD01674471;AKOS026674217;DS-9976;2-(3-methoxycarbonyl-thioureido)-aniline;LS-16357;Methyl 4-(o-aminophenyl)-3thioallophanate;1-methoxycarbonyl-3-(2-aminophenyl)thiourea;CS-0061887;Methyl[(2-aminophenyl)carbamothioyl]carbamate;1-methoxycarbonyl-3-(2-aminophenyl)-thiourea;Y10570;1-(2-aminophenyl)-3-methoxycarbonyl-2-thiourea;Q27236380

Chemical Property of Thiophamine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 119.00000
• Density: 1.395g/cm³
• LogP: 2.32770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 225.05719778
• Heavy Atom Count: 15
• Complexity: 248

Purity/Quality:

99%, ^*data from raw suppliers

Methyl[(2-aminophenyl)carbamothioyl]carbamate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC(=S)NC1=CC=CC=C1N

Technology Process of Thiophamine

There total 2 articles about Thiophamine 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:

methoxycarbonylisothiocyanate (35266-49-0) + 1,2-diamino-benzene (95-54-5) → 1-methoxycarbonyl-3-(2-amino-phenyl)thiourea (27079-29-4)

Guidance literature:

In benzene;

Reference yield:

→ 1-methoxycarbonyl-3-(2-amino-phenyl)thiourea (27079-29-4)

Guidance literature:

Methoxycarbonylisothiocyanat, o-Phenylendiamin, Aceton;

Reference yield:

1-methoxycarbonyl-3-(2-amino-phenyl)thiourea (27079-29-4) → methyl 4-[o-methoxymethyleneaminophenyl]-3-thioallophanate (54106-67-1)

Guidance literature:

With trimethyl orthoformate; In benzene;

upstream raw materials:

methoxycarbonylisothiocyanate

1,2-diamino-benzene

Downstream raw materials:

C₁₃H₁₅N₃O₅S

1-methoxycarbonyl-3-[2-(3-chloropropionamido)phenyl]thiourea

1-formamido-2-(3-methoxycarbonyl-2-thioureido)-benzene

methyl 4-[o-(3,3-dimethylureido)phenyl]-3-thioallophanate

Refernces

• 1、 -. "Alkyl 4-[o-(substituted methyleneamino)phenyl]-3-thioallophanates". . . Retrieved 2008/06/13.
• 2、 -. "Alkyl 4-(o-aminophenyl)-3-thioallophanates". . . Retrieved 2008/06/13.