Benzyl thioacetimidate hydrochloride

Base Information

• Chemical Name: Benzyl thioacetimidate hydrochloride
• CAS No.: 32894-07-8
• Molecular Formula: C9H11 N S . Cl H
• Molecular Weight: 201.72
• Hs Code.: 2930909090
• European Community (EC) Number: 625-224-1
• DSSTox Substance ID: DTXSID70504823
• Mol file: 32894-07-8.mol

Synonyms:32894-07-8;Benzyl thioacetimidate hydrochloride;S-Benzylthioacetimidate, Hydrochloride;BENZYL THIOACETIMIDATE HCL;benzyl ethanimidothioate;hydrochloride;Benzyl Ethanimidothioate Hydrochloride;1-(benzylsulfanyl)ethan-1-imine hydrochloride;SCHEMBL5506584;DTXSID70504823;Benzyl thioacetimdate hydrochloride;OVQWHRFBVPDPCD-UHFFFAOYSA-N;S-benzylthioacetimidate hydrochloride;S-Benzylthioacetimidate,Hydrochloride;MFCD05865210;AKOS025295155;AS-40676;Benzyl thioacetimidate hydrochloride, 96%;CS-0327830;FT-0663050;Benzyl ethanimidothioate--hydrogen chloride (1/1);J-018922

Chemical Property of Benzyl thioacetimidate hydrochloride

Chemical Property:

• Vapor Pressure: 0.00255mmHg at 25°C
• Melting Point: 157-161 °C(lit.)
• Boiling Point: 282.5°C at 760 mmHg
• Flash Point: 124.7°C
• PSA: 49.15000
• LogP: 3.81870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.0378983
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

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

S-Benzylthioacetimidate,Hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=N)SCC1=CC=CC=C1.Cl

Technology Process of Benzyl thioacetimidate hydrochloride

There total 4 articles about Benzyl thioacetimidate hydrochloride 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: 90.0%

phenylmethanethiol (100-53-8) + acetonitrile (75-05-8,26809-02-9) → S-benzyl thioacetimidate hydrochloride (32894-07-8)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 24h;

DOI:10.1016/S0014-827X(01)01154-5

Reference yield: 90.0%

benzyl chloride (100-44-7) + thioacetamide (62-55-5) → S-benzyl thioacetimidate hydrochloride (32894-07-8)

Guidance literature:

at 100 ℃; for 0.5h;

Reference yield:

diethyl ether (60-29-7,927820-24-4) + benzyl chloride (100-44-7) + thioacetamide (62-55-5) → S-benzyl thioacetimidate hydrochloride (32894-07-8)

Guidance literature:

In chloroform;

upstream raw materials:

phenylmethanethiol

acetonitrile

benzyl chloride

thioacetamide

Downstream raw materials:

dibenzyl disulphide

alpha-(benzylmercapto)acetonitrile

allyl(benzyl)sulfide

2-benzylsulfanyl-1-phenylethanone

Refernces

• 1、 -. "Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase". . . Retrieved 2008/06/13.
• 2、 Singh, Harjit,Malhotra, Nageshwar,Batra, Manohar S.. "Synthesis of Functionalised, Unsymmetrical Organic Sulphides - Thioacetamide as a Sulphur Transfer Reagent". . p. 272 - 273. Retrieved 2007/10/02.