2-(1H-Indol-3-yl)isothiouronium iodide

Base Information

• Chemical Name: 2-(1H-Indol-3-yl)isothiouronium iodide
• CAS No.: 26377-76-4
• Molecular Formula: C9H9 N3 S . H I
• Molecular Weight: 319.169
• Hs Code.: 2933990090
• Mol file: 26377-76-4.mol

Synonyms:2-(1H-Indol-3-yl)isothiouronium iodide;indole-3-thiouronium iodide;SCHEMBL6082236;SCHEMBL11713367;s-(3-indolyl)isothiuronium iodide;AKOS024344808

Chemical Property of 2-(1H-Indol-3-yl)isothiouronium iodide

Chemical Property:

• Vapor Pressure: 5.4E-07mmHg at 25°C
• Melting Point: 214-216°C dec.
• Boiling Point: 411.9°Cat760mmHg
• Flash Point: 202.9°C
• PSA: 90.96000
• Density: g/cm³
• LogP: 3.95170
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 318.96402
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

S[3-Indolyl]isothiuroniumIodide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)SC(=[NH2+])N.[I-]
• Uses: An precursor for 3-Mercaptoindole

Technology Process of 2-(1H-Indol-3-yl)isothiouronium iodide

There total 2 articles about 2-(1H-Indol-3-yl)isothiouronium iodide 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: 95.0%

indole (120-72-9) + thiourea (17356-08-0) → S-(3-indolyl)isothiourea hydrogeniodide (26377-76-4)

Guidance literature:

With iodine; potassium iodide; In methanol; water; Ambient temperature;

Reference yield:

→ S-(3-indolyl)isothiourea hydrogeniodide (26377-76-4)

Guidance literature:

34, I2, Thioharnstoff;

Reference yield: 95.0%

4-chloro-1-(4-methoxyphenyloxy)but-2-yne (56264-07-4) + S-(3-indolyl)isothiourea hydrogeniodide (26377-76-4) → 3-[4-(4-methoxyphenyloxy)but-2-ynylthio]indole (1001298-50-5)

Guidance literature:

S-(3-indolyl)isothiourea hydrogeniodide; With sodium hydroxide; at 80 - 100 ℃; for 0.166667h;

4-chloro-1-(4-methoxyphenyloxy)but-2-yne; With N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 20 ℃; for 0.25h; Further stages.;

DOI:10.1002/jhet.5570440624

upstream raw materials:

indole

thiourea

Downstream raw materials:

1H-indole-3-thiol

S,S'-Bis-(3-indolyl)disulphide

2-[(1H-indol-3-yl)sulfanyl]acetic acid

3-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole; hydrochloride