Carbamothioic acid, (phenylmethyl)-, S-ethyl ester

Base Information

Chemical Name:Carbamothioic acid, (phenylmethyl)-, S-ethyl ester
CAS No.:36069-85-9
Molecular Formula:C₁₀H₁₃NOS
Molecular Weight:195.285
Hs Code.:
DSSTox Substance ID:DTXSID50189652
Nikkaji Number:J2.633.832H
Wikidata:Q83061836
Mol file:36069-85-9.mol

Synonyms:S-ethyl N-benzylcarbamothioate;Carbamothioic acid, (phenylmethyl)-, S-ethyl ester;36069-85-9;S-Ethyl (phenylmethyl)carbamothioate;Maybridge3_002852;SCHEMBL24001346;DTXSID50189652;HMS1439B14;CCG-42379;IDI1_014239;N-Benzylthiocarbamic acid S-ethyl ester;SR-01000632383-1

Suppliers and Price of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester

Supply Marketing:

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

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Chemical Property of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:195.07178521
Heavy Atom Count:13
Complexity:155

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSC(=O)NCC1=CC=CC=C1

Technology Process of Carbamothioic acid, (phenylmethyl)-, S-ethyl ester

There total 11 articles about Carbamothioic acid, (phenylmethyl)-, S-ethyl 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: 99.0%

: 1085994-48-4
S-ethyl N-benzyl-N-1-phenylvinylcarbamothioate

: 36069-85-9
S-ethyl N-benzylcarbamothioate

: 98-86-2
acetophenone

Guidance literature:: With water; acetic acid; In acetonitrile; at 80 ℃; for 17h; chemoselective reaction;
DOI:10.3987/COM-08-11410

Reference yield:

: 1085994-41-7
(R)-S-ethyl-3-benzyl-4-phenyloxazolidin-2-thionium triflate

: 36069-85-9
S-ethyl N-benzylcarbamothioate

: 98-86-2
acetophenone

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium trifluoromethanesulfonate / N,N-dimethyl-formamide / 0.5 h / 0 °C / Molecular sieve; Inert atmosphere

1.2: 0 °C / Inert atmosphere

1.3: 0 - 20 °C / Inert atmosphere

2.1: water; acetic acid / acetonitrile / 17 h / 80 °C

With water; lithium trifluoromethanesulfonate; acetic acid; In N,N-dimethyl-formamide; acetonitrile;
DOI:10.3987/COM-08-11410

Reference yield:

: 14231-69-7
(R)-3-benzyl-4-phenyloxazolidine-2-thione

: 36069-85-9
S-ethyl N-benzylcarbamothioate

: 98-86-2
acetophenone

Guidance literature:: Multi-step reaction with 3 steps

1.1: acetonitrile / 0.5 h / 20 °C

2.1: lithium trifluoromethanesulfonate / N,N-dimethyl-formamide / 0.5 h / 0 °C / Molecular sieve; Inert atmosphere

2.2: 0 °C / Inert atmosphere

2.3: 0 - 20 °C / Inert atmosphere

3.1: water; acetic acid / acetonitrile / 17 h / 80 °C

With water; lithium trifluoromethanesulfonate; acetic acid; In N,N-dimethyl-formamide; acetonitrile;
DOI:10.3987/COM-08-11410