2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one

Base Information

• Chemical Name: 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one
• CAS No.: 38201-64-8
• Molecular Formula: C8H8 N2 O S2
• Molecular Weight: 0
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70353974
• Nikkaji Number: J1.586.603I
• Mol file: 38201-64-8.mol

Synonyms:38201-64-8;2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one;5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one;5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one;5,6-dimethyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one;ChemDiv1_004383;SCHEMBL1622762;HMS599H05;DTXSID70353974;WPZYPEIFPBHUDG-UHFFFAOYSA-N;5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one;CCG-16932;MFCD00457470;STK688090;STL079785;AKOS000116925;AKOS000269224;WAY-297450;NS-02404;CS-0078757;EU-0038865;EN300-08185;SR-01000438683;5,6-dimethyl-2-thioxothieno[2,3-d]pyrimidin-4-one;SR-01000438683-1;Z57082920;5,6-dimethyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one;2-thio-4-oxo-5,6-dimethyl-3,4-dihydrothieno[2,3-d]pyrimidine

Chemical Property of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 112.79000
• Density: 1.47g/cm³
• LogP: 1.89010
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 212.00780523
• Heavy Atom Count: 13
• Complexity: 269

Purity/Quality:

NLT 98% ^*data from raw suppliers

5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C(=O)NC(=S)N2)C

Technology Process of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one

There total 26 articles about 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one 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: 84.0%

5,6-Dimethyl-4-phenylamino-1H-thieno[2,3-d]pyrimidine-2-thione (132424-45-4) → 5,6-Dimethylthieno<2,3-d>pyrimidin-4(3H)-on-2(1H)-thion (38201-64-8)

Guidance literature:

With hydrogenchloride; In ethanol; for 4h; Heating;

Reference yield: 82.0%

2-((ethoxycarbonylamino)carbothioyl)amino-4,5-dimethylthiophene-3-carboxylic acid ethyl ester (1228041-23-3) → 5,6-Dimethylthieno<2,3-d>pyrimidin-4(3H)-on-2(1H)-thion (38201-64-8)

Guidance literature:

With ethanol; sodium ethanolate; for 0.5h; Reflux;

DOI:10.3390/molecules15063932

Reference yield: 73.0%

ammonium thiocyanate (1147550-11-5) + 2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester (4815-24-1) → 5,6-Dimethylthieno<2,3-d>pyrimidin-4(3H)-on-2(1H)-thion (38201-64-8)

Guidance literature:

ammonium thiocyanate; 2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester; In o-xylene; Heating;

With hydrogenchloride; for 6.5h; Further stages.; Heating;

DOI:10.1007/s10593-007-0185-8

upstream raw materials:

5,6-Dimethyl-4-m-tolylamino-1H-thieno[2,3-d]pyrimidine-2-thione

5,6-Dimethyl-4-p-tolylamino-1H-thieno[2,3-d]pyrimidine-2-thione

5,6-Dimethyl-4-phenylamino-1H-thieno[2,3-d]pyrimidine-2-thione

4-(4-Chloro-phenylamino)-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2-thione

Downstream raw materials:

5,6-dimethyl-2-methylthio-3,4-dihydrothieno[2,3-d]pyrimidin-4-one

C₂₄H₁₆N₄O₃S

C₁₈H₁₆N₄O₃S

C₂₂H₁₆N₄O₂S