S-(2-Dimethylaminoethyl)isothiourea diHCl

Base Information

• Chemical Name: S-(2-Dimethylaminoethyl)isothiourea diHCl
• CAS No.: 16111-27-6
• Molecular Formula: C₅H₁₃N₃S*2ClH
• Molecular Weight: 220.166
• Hs Code.: 2930909090
• NSC Number: 39521
• Mol file: 16111-27-6.mol

Synonyms:S-(2-Dimethylaminoethyl)isothiourea diHCl;2-(dimethylamino)ethyl carbamimidothioate;hydrochloride;SKF 91487;S-[2-(Dimethylamino)ethyl]isothiourea Dihydrochloride;NSC39521;NSC-39521;D89694

Chemical Property of S-(2-Dimethylaminoethyl)isothiourea diHCl

Chemical Property:

• Melting Point: 181°C
• Boiling Point: 212.7°Cat760mmHg
• Flash Point: 82.4°C
• PSA: 78.41000
• Density: g/cm³
• LogP: 2.57870
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 183.0596963
• Heavy Atom Count: 10
• Complexity: 92.2

Purity/Quality:

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

S-[2-(Dimethylamino)ethyl]isothiourea Dihydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCSC(=N)N.Cl

Technology Process of S-(2-Dimethylaminoethyl)isothiourea diHCl

There total 1 articles about S-(2-Dimethylaminoethyl)isothiourea diHCl 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:

(2-chloroethyl)dimethylamine hydrochloride (4584-46-7) + thiourea (17356-08-0) → Nordimaprit (16111-27-6,76354-22-8)

Guidance literature:

With ethanol;

DOI:10.1021/ja01275a015

Reference yield: 88.0%

p-trifluoromethylphenyl bromide (402-43-7) + Nordimaprit (16111-27-6,76354-22-8) → N,N-dimethyl-2-((4-(trifluoromethyl)phenyl)thio)ethanamine

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 2h;

DOI:10.1039/c8ob01758a

Reference yield:

Nordimaprit (16111-27-6,76354-22-8) → captamine (108-02-1)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01183a018

upstream raw materials:

(2-chloroethyl)dimethylamine hydrochloride

thiourea

Downstream raw materials:

captamine

Thiobenzilsaeure-S-<2-dimethylamino-aethylester>