4-Aminothiobenzamide

Base Information

• Chemical Name: 4-Aminothiobenzamide
• CAS No.: 4714-67-4
• Molecular Formula: C7H8 N2 S
• Molecular Weight: 152.22
• Hs Code.: 2930909090
• European Community (EC) Number: 610-329-7,674-676-6
• NSC Number: 18337
• UNII: RWB1B05E2V
• DSSTox Substance ID: DTXSID40197049
• Nikkaji Number: J54.750F
• ChEMBL ID: CHEMBL2441353
• Mol file: 4714-67-4.mol

Synonyms:4-Aminothiobenzamide;4714-67-4;4-AMINOBENZOTHIOAMIDE;4-Aminobenzenecarbothioamide;Benzamide, p-aminothio-;p-Aminobenzothiamide;p-Aminothiobenzamide;Benzenecarbothioamide, 4-amino-;4114-67-4;4-amino-thiobenzamide;4-amino Benzthioamide;NSC 18337;BRN 2802376;RWB1B05E2V;4-Amino thiobenzamide;NSC-18337;4-AMINOBENZENE-1-CARBOTHIOAMIDE;3-14-00-01171 (Beilstein Handbook Reference);NSC18337;4-amino(thiobenzamide);UNII-RWB1B05E2V;4-azanylbenzenecarbothioamide;4-Aminothiobenzamide, 97%;CHEMBL2441353;SCHEMBL14018619;DTXSID40197049;BENZENESULFONICACIDPHENYLESTER;CS-M0715;MFCD00040927;AKOS000218303;WLN: ZR DVM2N2&2 &S-O4;AB01833;AS-44307;LS-25669;PD019774;FT-0692408;EN300-40101;A825451;A827161;W-202827;Z234895465

Chemical Property of 4-Aminothiobenzamide

Chemical Property:

• Vapor Pressure: 0.000227mmHg at 25°C
• Melting Point: 182 ºC
• Boiling Point: 325.6°Cat760mmHg
• PKA: 13.25±0.29(Predicted)
• Flash Point: 150.7°C
• PSA: 84.13000
• Density: 1.286
• LogP: 2.18450
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.04081944
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Aminothiobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=S)N)N
• Description: 4-amino Benzthioamide is a synthetic intermediate useful for pharmaceutical synthesis.

Technology Process of 4-Aminothiobenzamide

There total 6 articles about 4-Aminothiobenzamide 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: 92.0%

4-Aminobenzonitrile (873-74-5) → 4-aminobenzothioamide (4714-67-4)

Guidance literature:

With pyridine; hydrogen sulfide; triethylamine; at 60 ℃; for 22h;

DOI:10.1016/S0040-4020(03)00018-8

Reference yield:

4-aminobenzamide (2835-68-9) → 4-aminobenzothioamide (4714-67-4)

Guidance literature:

With Lawessons reagent;

DOI:10.1002/bscb.19780870311

Reference yield:

4-nitrobenzonitrile (619-72-7) → 4-aminobenzothioamide (4714-67-4)

Guidance literature:

With ammonium sulfide;

upstream raw materials:

4-Aminobenzonitrile

4-nitrobenzonitrile

4-aminobenzamide

4-nitro-aniline

Downstream raw materials:

2-(4-aminophenyl)benzothiazole

4-Amino-thiobenzamid-S-oxid

4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-bezenesulfonyl chloride

Refernces

• 1、 Martelli, Alma,Testai, Lara,Citi, Valentina,Marino, Alice,Pugliesi, Isabella,Barresi, Elisabetta,Nesi, Giulia,Rapposelli, Simona,Taliani, Sabrina,Da Settimo, Federico,Breschi, Maria C.,Calderone, Vincenzo. "Arylthioamides as H2S donors: L-cysteine-activated releasing properties and vascular effects in vitro and in vivo". supporting information. p. 904 - 908. Retrieved 2013/10/22.
• 2、 Ikemoto, Norihiro,Liu, Jinchu,Brands, Karel M.J.,McNamara, James M.,Reider, Paul J.. "Practical routes to the triarylsulfonyl chloride intermediate of a β3 adrenergic receptor agonist". . p. 1317 - 1325. Retrieved 2007/10/03.