2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)-

Base Information

Chemical Name:2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)-
CAS No.:86717-12-6
Molecular Formula:C18H20 N6 O S2
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID601007063
Mol file:86717-12-6.mol

Synonyms:BRN 6011328;86717-12-6;2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)-;C18H20N6OS2;DTXSID601007063;C18-H20-N6-O-S2;LS-122382;1-[(5-{[(1H-Indol-3-yl)methyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-3-[(1H-pyrrol-2-yl)amino]propan-2-ol

Suppliers and Price of 2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)-

Supply Marketing:

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

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Chemical Property of 2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)-

Chemical Property:

Vapor Pressure:7.35E-25mmHg at 25°C
Boiling Point:768.8°C at 760 mmHg
Flash Point:418.8°C
PSA：158.42000
Density:1.47g/cm³
LogP:3.01960
XLogP3:3.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:400.11400163
Heavy Atom Count:27
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)CNC3=NN=C(S3)SCC(CNC4=CC=CN4)O

Technology Process of 2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)-

There total 3 articles about 2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)- 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: 40.0%

: 4458-15-5
2-aminopyrrole

: 86717-02-4
3-<(2-Aminomethyl)-5-(3-epoxypropylmercapto)-1,3,4-thiadiazolyl>indole

: 86717-12-6
1-{5-[(1H-Indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-3-(1H-pyrrol-2-ylamino)-propan-2-ol

Guidance literature:: With sodium hydroxide; In methanol; Heating;
DOI:10.1002/ardp.19833160604

Reference yield:

: 120-72-9
indole

: 86717-12-6
1-{5-[(1H-Indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-3-(1H-pyrrol-2-ylamino)-propan-2-ol

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / conc. HCl / methanol / 2 h / Heating

2: 54 percent / 1.) 10percent aq. NaOH / ethanol / 2.) reflux, 3 h

3: 40 percent / 10percent aq. NaOH / methanol / Heating

With hydrogenchloride; sodium hydroxide; In methanol; ethanol;
DOI:10.1002/ardp.19833160604

Reference yield:

: 86717-01-3
3-<(2-Aminomethyl)-5-mercapto-1,3,4-thiadiazolyl>indole

: 86717-12-6
1-{5-[(1H-Indol-3-ylmethyl)-amino]-[1,3,4]thiadiazol-2-ylsulfanyl}-3-(1H-pyrrol-2-ylamino)-propan-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / 1.) 10percent aq. NaOH / ethanol / 2.) reflux, 3 h

2: 40 percent / 10percent aq. NaOH / methanol / Heating

With sodium hydroxide; In methanol; ethanol;
DOI:10.1002/ardp.19833160604