4-Phenylpyrimidine-2-thiol

Base Information

• Chemical Name: 4-Phenylpyrimidine-2-thiol
• CAS No.: 60414-59-7
• Molecular Formula: C10H8 N2 S
• Molecular Weight: 188.25
• Hs Code.: 2933599090
• European Community (EC) Number: 655-186-1
• DSSTox Substance ID: DTXSID40209171
• Wikidata: Q83083357
• Mol file: 60414-59-7.mol

Synonyms:4-Phenylpyrimidine-2-thiol;60414-59-7;4-Phenyl-pyrimidine-2-thiol;6-phenyl-1H-pyrimidine-2-thione;4-Phenyl-2(1H)-pyrimidinethione;2-Mercapto-4-phenylpyrimidine;6-Phenylpyrimidine-2(1H)-thione;2(1H)-Pyrimidinethione, 4-phenyl-;C10H8N2S;SCHEMBL7620872;YSWG1011;SCHEMBL11468806;DTXSID40209171;4-phenylpyrimidine-2(1H)-thione;SXIMWFPBGWZKAV-UHFFFAOYSA-N;HMS1726L01;4-phenyl-2-pyrimidinyl hydrosulfide;C10-H8-N2-S;BBL028452;MFCD00239517;STL360911;STL466949;AKOS001033466;AKOS016371334;AKOS032963855;NCGC00320072-01;4-phenyl-1,2-dihydropyrimidine-2-thione;6-phenyl-1,2-dihydropyrimidine-2-thione;AS-11590;LS-135642;CS-0078713;FT-0692572;N10413;AB01316758-02;A868983;Z56761489

Chemical Property of 4-Phenylpyrimidine-2-thiol

Chemical Property:

• Vapor Pressure: 0.000162mmHg at 25°C
• Melting Point: >180 °C (decomp)
• Boiling Point: 330.9ºC at 760 mmHg
• PKA: 6.81±0.10(Predicted)
• Flash Point: 153.9ºC
• PSA: 64.58000
• Density: 1.21g/cm3
• LogP: 2.43230
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.04081944
• Heavy Atom Count: 13
• Complexity: 262

Purity/Quality:

98%Min ^*data from raw suppliers

4-Phenylpyrimidine-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=NC(=S)N2

Technology Process of 4-Phenylpyrimidine-2-thiol

There total 9 articles about 4-Phenylpyrimidine-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: 85.0%

2-imino-4-phenyl-2H-1,3-thiazinium perchlorate → 1,2-dihydro-4-phenylpyrimidine-2-thione (60414-59-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 3h;

DOI:10.1007/s10593-005-0103-x

Reference yield: 76.0%

[4-phenyl-2H-1,3-thiazin]-2-ylideneguanidinium perchlorate → 1,2-dihydro-4-phenylpyrimidine-2-thione (60414-59-7)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 8 - 10 ℃; for 0.5h;

DOI:10.1007/s10593-005-0103-x

Reference yield: 76.0%

(E)-3-(N,N-dimethylamino)-1-phenyl-2-propen-1-one (1131-80-2,1201-93-0,31919-75-2) + thiourea (17356-08-0) → 1,2-dihydro-4-phenylpyrimidine-2-thione (60414-59-7)

Guidance literature:

With sodium ethanolate; In ethanol; for 8h; Heating;

DOI:10.1080/00304949709355198

upstream raw materials:

(E)-3-(N,N-dimethylamino)-1-phenyl-2-propen-1-one

thiourea

Downstream raw materials:

C₂₄H₂₂N₄S₂

C₂₅H₂₄N₄S₂

C₂₆H₂₆N₄S₂

C₂₁H₁₆N₄S₂

Refernces

• 1、 Cavallito et al.. "-". . p. 2544,2546. Retrieved 1951.
• 2、 -. "Pyrimidine derivatives useful as nematicides". . . Retrieved 2008/06/13.