Surrectan

Base Information

• Chemical Name: Surrectan
• CAS No.: 56-10-0
• Molecular Formula: C3H9N3S^.2HBr
• Molecular Weight: 281.014
• Hs Code.: 2930 90 98
• European Community (EC) Number: 218-391-3
• NSC Number: 22877
• UNII: ZC6HWF5QCG
• ChEMBL ID: CHEMBL1256025
• Mol file: 56-10-0.mol

Synonyms:Surrectan;2141-04-0;ZC6HWF5QCG;Carbamimidothioic acid, 2-aminoethyl ester, monohydrobromide;2-aminoethyl carbamimidothioate;hydrobromide;2-(2-Aminoethyl)isothiouronium bromide;2-(2-Aminoethyl)-2-thiopseudourea monohydrobromide;NSC-22877;Adeturone;Aet bromide;.beta.-Aminoethylisothiuronium bromide hydrobromide;Aet dihydrobromide;Aet-2HBr;UNII-ZC6HWF5QCG;MLS002153228;SCHEMBL9809275;WLN: Z2SYZUM &EH 2;CHEMBL1256025;(2-.beta.-Aminoethyl)isothiourea;Isothiuronium bromide, hydrobromide;NSC22877;EINECS 218-391-3;(2-Aminoethyl)isothiouronium dibromide;AKOS015915353;NCGC00180890-01;(2-Aminoethyl)isothiuronium dihydrobromide;SMR001230697;(2-Aminoethyl)thiopseudourea dihydrobromide;S-(2-AMINOETHYL)ISOTHIURONIUM BROMIDE;S-(.beta.-Aminoethyl)isothiuronium bromohydrate;(2-Aminoethyl)isothiuronium bromide hydrobromide;S-(.BETA.-AMINOETHYL)ISOTHIURONIUM BROMIDE;(2-AMINOETHYL)ISOTHIOURONIUMBROMIDE HYDROBROMIDE;2-(.beta.-Aminoethyl)isothiouronium bromide hydrobromide;2-(.beta.-Aminoethyl)isothiuronium bromide hydrobromide;S-(.beta.-Aminoethyl)isothiuronium bromide hydrobromide;PSEUDOUREA, 2-(2-AMINOETHYL)-2-THIO-, MONOHYDROBROMIDE

Chemical Property of Surrectan

Chemical Property:

• Melting Point: 190-196 °C(lit.)
• Boiling Point: 231.1 °C at 760 mmHg
• Flash Point: 93.6 °C
• PSA: 101.19000
• Density: 1.94 g/cm3
• LogP: 2.98830
• Storage Temp.: Store below +30°C.
• Solubility.: 50g/l
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.97788
• Heavy Atom Count: 8
• Complexity: 63.2

Purity/Quality:

99% ^*data from raw suppliers

S-(2-Aminoethyl)-ITUdihydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSC(=N)N)N.Br
• Description: S-(2-aminoethyl) Isothiourea is a non-selective inhibitor of all NOS isoforms. For human nNOS, eNOS, and iNOS, the Ki values are 1.8, 2.1, and 0.59 μM, respectively.
• Uses: 2-(2-Aminoethyl)isothiourea dihydrobromide inhibits nitric oxide synthase (NOS). NOS inhibitor Has radioprotective activity against x-rays.

Technology Process of Surrectan

There total 1 articles about Surrectan 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-bromoethylamine hydrobromide (2576-47-8) + thiourea (17356-08-0) → S-(2-aminoethyl)isothiouronium bromide hydrobromide (56-10-0)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; Rate constant; Thermodynamic data; Kinetics; other temperatures, ΔH(excit.), ΔS(excit.);

Reference yield:

S-(2-aminoethyl)isothiouronium bromide hydrobromide (56-10-0) → 4,5-Dihydro-thiazol-2-ylamin (1779-81-3)

Guidance literature:

With water;

DOI:10.1021/ja01578a022

Reference yield:

C17H17ClN6 (1415635-39-0) + S-(2-aminoethyl)isothiouronium bromide hydrobromide (56-10-0) → C20H25N9S (1415635-15-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In butan-1-ol; for 0.5h; Reflux;

upstream raw materials:

2-bromoethylamine hydrobromide

thiourea

Downstream raw materials:

4,5-Dihydro-thiazol-2-ylamin

N-(2-mercaptoethyl)guanidine

guanidinoethyldisulfide

taurocyamine

Refernces

• 1、 Ryazantsev, G. B.,Lys, Ya. I.,Fedoseev, V. M.. "EFFECT OF VICINAL SUBSTITUENTS ON REACTIVITY IN BIMOLECULAR NUCLEOPHILIC SUBSTITUTION AT A SATURATED CARBON ATOM. TWO TYPES OF SUBSTITUENT I. KINETICS OF THE REACTIONS OF THIOUREA WITH β-SUBSTITUTED BROMOETHANES IN DIMETHYLFORMAMIDE". . p. 776 - 779. Retrieved 2007/10/02.