3-Bromopyridine-2-thiol

Base Information

• Chemical Name: 3-Bromopyridine-2-thiol
• CAS No.: 65938-86-5
• Molecular Formula: C5H4BrNS
• Molecular Weight: 190.06100
• Hs Code.: 2933399990
• European Community (EC) Number: 829-009-5
• DSSTox Substance ID: DTXSID80495596

Synonyms:3-bromopyridine-2-thiol;65938-86-5;3-Bromopyridine-2(1H)-thione;3-BROMO-1H-PYRIDINE-2-THIONE;3-bromo-1,2-dihydropyridine-2-thione;MFCD14651478;2(1H)-Pyridinethione, 3-bromo-;2-mercapto-3-bromo-pyridine;SCHEMBL9988909;DTXSID80495596;DYSAQUBMKLAXTJ-UHFFFAOYSA-N;3-Bromo-2-pyridinethiol, AldrichCPR;AKOS008146319;AKOS010631159;BS-29369;SY192407;CS-0454695;EN300-80846;F74558;A918164;Z808603100

Chemical Property of 3-Bromopyridine-2-thiol

Chemical Property:

• Melting Point: 205-207 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 221.9±50.0 °C(Predicted)
• PKA: 8.09±0.40(Predicted)
• PSA: 51.69000
• Density: 1.79±0.1 g/cm3(Predicted)
• LogP: 2.13280
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 188.92478
• Heavy Atom Count: 8
• Complexity: 171

Purity/Quality:

98%, ^*data from raw suppliers

3-Bromo-2-pyridinethiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=S)C(=C1)Br
• Uses: 3-Bromo-2-pyridinethiol is a reactant in the synthesis of -aryl-3-sulfonamide derivatives.

Technology Process of 3-Bromopyridine-2-thiol

There total 2 articles about 3-Bromopyridine-2-thiol 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: 55.0%

3-bromo-2-chloropyridine (52200-48-3) → 3-bromopyridine-2-thiol (65938-86-5)

Guidance literature:

3-bromo-2-chloropyridine; With sodium sulfide; In N,N-dimethyl-formamide; at 130 ℃; for 0.5h; Microwave irradiation;

With water; pH=6; Acidic conditions;

Reference yield:

→ 3-bromopyridine-2-thiol (65938-86-5)

Guidance literature:

3-Brom-2-chlorpyridin, 1. Thioharnstoff, 2. NaOH;

Reference yield:

3-bromopyridine-2-thiol (65938-86-5) + α-bromoacetophenone (70-11-1) → C13H10BrNOS

Guidance literature:

3-bromopyridine-2-thiol; With sodium carbonate; In ethanol; water; at 20 ℃; for 0.5h;

α-bromoacetophenone; In ethanol; water; at 20 ℃; for 3h;

DOI:10.1021/acs.orglett.0c03521

upstream raw materials:

3-bromo-2-chloropyridine

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