4-Amino-6-mercaptopyrimidine

Base Information

• Chemical Name: 4-Amino-6-mercaptopyrimidine
• CAS No.: 1193-23-3
• Molecular Formula: C₄H₅N₃S
• Molecular Weight: 127.17
• Hs Code.: 2933599090
• NSC Number: 22392
• DSSTox Substance ID: DTXSID90396787
• Nikkaji Number: J2.195.913H
• Mol file: 1193-23-3.mol

Synonyms:1193-23-3;4-AMINO-6-MERCAPTOPYRIMIDINE;6-amino-1H-pyrimidine-4-thione;4(1H)-Pyrimidinethione, 6-amino- (9CI);6-Aminopyrimidine-4(1H)-thione;NSC22392;6-amino-4thioxopyrimidine;SCHEMBL3651169;DTXSID90396787;XDIZJOWPBYQONT-UHFFFAOYSA-N;4(1h)-pyrimidinethione,6-amino-;NSC 22392;NSC-22392;AKOS006337410;6-amino-1,4-dihydropyrimidine-4-thione

Chemical Property of 4-Amino-6-mercaptopyrimidine

Chemical Property:

• Vapor Pressure: 0.0602mmHg at 25°C
• Melting Point: 300 °C(Solv: water (7732-18-5))
• Boiling Point: 232.1°Cat760mmHg
• PKA: 2.33±0.20(Predicted)
• Flash Point: 94.1°C
• PSA: 86.79000
• Density: 1.53g/cm³
• LogP: 1.30260
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.02041835
• Heavy Atom Count: 8
• Complexity: 170

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=NC1=S)N

Technology Process of 4-Amino-6-mercaptopyrimidine

There total 1 articles about 4-Amino-6-mercaptopyrimidine 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:

→ 4-Amino-6-mercapto-pyrimidin (1193-23-3)

Guidance literature:

4-Amino-6-chlor-pyrimidin, NaSH*3H2O, 95percentig. A., Siedetemp., 7 Tage;

DOI:10.1021/jm00331a002

Reference yield:

4-Amino-6-mercapto-pyrimidin (1193-23-3) + (6R,7R)-3-((E)-3-Iodo-propenyl)-8-oxo-7-{2-[(Z)-prop-2-ynyloxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester → (6R,7R)-3-[(E)-3-(6-Amino-pyrimidin-4-ylsulfanyl)-propenyl]-8-oxo-7-{2-[(Z)-prop-2-ynyloxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.7164/antibiotics.53.1305