Carbamic acid, (5-(2-(ethylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester

Base Information

Chemical Name:Carbamic acid, (5-(2-(ethylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester
CAS No.:138474-87-0
Molecular Formula:C18H31N3O4S3
Molecular Weight:449.6514
Hs Code.:
DSSTox Substance ID:DTXSID30930129
Nikkaji Number:J418.746F
Mol file:138474-87-0.mol

Synonyms:138474-87-0;Carbamic acid, (5-(2-(ethylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester;DTXSID30930129;C18H32N3O4S3;C18-H32-N3-O4-S3;LS-49775;{2-Methyl-2-[1-(propylsulfanyl)propan-2-yl]-1,3-dioxolan-4-yl}methyl {5-[2-(ethylsulfanyl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene}carbamate;N-[5-(2-Ethylthioethyl)-1,3,4-thiadiazol-2-yl]carbamic acid [2-methyl-2-(1-methyl-2-propylthioethyl)-1,3-dioxolan-4-yl]methyl ester

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Chemical Property of Carbamic acid, (5-(2-(ethylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester

Chemical Property:

Density:1.23g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:449.14767000
Heavy Atom Count:28
Complexity:477

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCSCC(C)C1(OCC(O1)COC(=O)NC2=NN=C(S2)CCSCC)C

Technology Process of Carbamic acid, (5-(2-(ethylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester

There total 2 articles about Carbamic acid, (5-(2-(ethylthio)ethyl)-1,3,4-thiadiazol-2-yl)-, (2-methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolan-4-yl)methyl ester 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: 70.7%

: 116481-29-9
2-amino-5-ethylthioethyl-1,3,5-thiadiazole

: 138474-89-2
2-methyl-2-(1-methyl-2-propylthio)ethyl-1,3-dioxolan-4-yl-methyl chloroformate

: 138474-87-0
[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-yl]-carbamic acid 2-methyl-2-(1-methyl-2-propylsulfanyl-ethyl)-[1,3]dioxolan-4-ylmethyl ester

Guidance literature:: With pyridine; In tetrahydrofuran;
DOI:10.1007/BF00768979

Reference yield:

: 95541-94-9
2-methyl-2-(1-methlpropylthioethyl)-4-hydroxymethyl-1,3-dioxolane

: 138474-87-0
[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-yl]-carbamic acid 2-methyl-2-(1-methyl-2-propylsulfanyl-ethyl)-[1,3]dioxolan-4-ylmethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 118 g / pyridine / tetrahydrofuran

2: 70.7 percent / pyridine / tetrahydrofuran

With pyridine; In tetrahydrofuran;
DOI:10.1007/BF00768979