Methisazone

Base Information

Chemical Name:Methisazone
CAS No.:1910-68-5
Molecular Formula:C10H10 N4 O S
Molecular Weight:234.282
Hs Code.:2933790090
European Community (EC) Number:217-616-2
NSC Number:70969,69811
UNII:K3QML4J07E
DSSTox Substance ID:DTXSID7046413,DTXSID10859687
Nikkaji Number:J9.535D
Wikipedia:Metisazone
Wikidata:Q4562049
NCI Thesaurus Code:C77928
ChEMBL ID:CHEMBL362994,CHEMBL1512080,CHEMBL4777221,CHEMBL2354555
Mol file:1910-68-5.mol

Synonyms:Marboran;Methisazone;Metisazone

Suppliers and Price of Methisazone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Aronis compounds
1-methyl-1H-indole-2,3-dione3-thiosemicarbazone
10g
$ 505.00

American Custom Chemicals Corporation
N-METHYLISATIN-3-THIOSEMICARBAZONE 98.00%
1G
$ 1250.87

AHH
N-Methylisatin-3-thiosemicarbazone 98%
1g
$ 510.00

Total 41 raw suppliers

Chemical Property of Methisazone

Chemical Property:

Vapor Pressure:6.07E-07mmHg at 25°C
Melting Point:245°
Refractive Index:1.6390 (estimate)
Boiling Point:410.3 °C at 760 mmHg
PKA:9.81±0.20(Predicted)
Flash Point:202 °C
PSA：102.81000
Density:1.47 g/cm³
LogP:1.35650
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.05753213
Heavy Atom Count:16
Complexity:309

Purity/Quality:

99% ^*data from raw suppliers

1-methyl-1H-indole-2,3-dione3-thiosemicarbazone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N
Uses Antiviral.

Technology Process of Methisazone

There total 9 articles about Methisazone 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: 83.0%

: 2058-74-4
1-methyl-1H-indole-2,3-dione

: 79-19-6
thiosemicarbazide

: 1910-68-5
[(1-methyl-2-oxoindol-3-ylidene)amino]thiourea

Guidance literature:: With acetic acid; at 120 ℃; for 2h;
DOI:10.1002/ejoc.201600143

Reference yield: 80.0%

: 79-19-6
thiosemicarbazide

: 219605-52-4
2′-N,N-dimethylaminophenylacetylene

: 1910-68-5
[(1-methyl-2-oxoindol-3-ylidene)amino]thiourea

Guidance literature:: 2′-N,N-dimethylaminophenylacetylene; With iodine; oxygen; In dimethyl sulfoxide; at 20 - 100 ℃; for 6h;

thiosemicarbazide; With diethylamine; In dimethylsulfoxide-d6; at 20 ℃; for 3h;
DOI:10.1021/acs.joc.5b00581

Reference yield:

: 615-43-0
2-iodophenylamine

: 1910-68-5
[(1-methyl-2-oxoindol-3-ylidene)amino]thiourea

Guidance literature:: Multi-step reaction with 4 steps

1.1: methyllithium / tetrahydrofuran / 1.5 h / -78 °C / Inert atmosphere

1.2: 3.17 h / 20 °C / Inert atmosphere

2.1: tri tert-butylphosphoniumtetrafluoroborate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 16 h / 20 °C / Glovebox; Inert atmosphere; Sealed tube

2.2: 16 h / 20 °C / Sealed tube; Inert atmosphere

3.1: hydrogenchloride / tetrahydrofuran; water / 5 h / 70 °C

4.1: acetic acid / 2 h / 120 °C

With hydrogenchloride; methyllithium; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate; In tetrahydrofuran; water;
DOI:10.1002/ejoc.201600143