35563-27-0

Basic information

• Product Name: 2-Mercapto-6,7-dihydro-3H-cyclopentapyriMidin-4(5H)-one
• Synonyms: 2-Mercapto-6,7-dihydro-3H-cyclopentapyriMidin-4(5H)-one;4H-CyclopentapyriMidin-4-one, 1,2,3,5,6,7-hexahydro-2-thioxo-;1,2,3,5,6,7-hexahydro-2-thioxo-4H-Cyclopentapyrimidin-4-one;5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3H)-one;2-thioxo-1,2,3,5,6,7-hexahydro-4H-cyclopenta[d]pyrimidin-4-one;2-Thioxo-2,3,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4(5H)-one
• CAS NO: 35563-27-0
• Molecular Formula: C₇H₈N₂OS
• Molecular Weight: 168.21622
• Mol File: 35563-27-0.mol
• Article Data: 12

Chemical Properties

• Melting Point: >320℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.42g/cm³
• Refractive Index: 1.674
• CAS DataBase Reference: 2-Mercapto-6,7-dihydro-3H-cyclopentapyriMidin-4(5H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Mercapto-6,7-dihydro-3H-cyclopentapyriMidin-4(5H)-one(35563-27-0)
• EPA Substance Registry System: 2-Mercapto-6,7-dihydro-3H-cyclopentapyriMidin-4(5H)-one(35563-27-0)

Safety Data

• Hazardous Substances Data: 35563-27-0(Hazardous Substances Data)

Usage

General Description

2-Mercapto-6,7-dihydro-3H-cyclopentapyrimidin-4(5H)-one, also known as thymine, is a nucleobase found in DNA and RNA. It is a heterocyclic compound containing a pyrimidine ring with a sulfur atom and a methyl group. Thymine plays a crucial role in the genetic code as one of the four nucleotides that make up the DNA molecule, pairing with adenine through hydrogen bonds. It is involved in the process of DNA replication and transcription, and its structure can be modified by various chemical reactions leading to mutations. Thymine also has potential applications in pharmaceuticals and medical research due to its importance in genetic material.

InChI:InChI=1/C7H8N2OS/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)

Upstream product

• 611-10-9 2-ethoxycarbonyl-1-cyclopentanone 
• 17356-08-0 thiourea 
• 10472-24-9 methyl 2-oxocyclopentane-1-carboxylate 
• 5453-85-0 ethyl cyclopentanecarboxylate 

Downstream Products

• 3087-14-7 2-(methylsulfanyl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one 
• 5661-01-8 6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one 
• 5466-00-2 1,5,6,7-tetrahydro-cyclopentapyrimidine-2,4-dione 
• 5661-01-8 6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol 
• 356058-42-9 {2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetic acid 
• 356057-34-6 N-[2-(diethylamino)ethyl]-2-(2-{[(4-fluorophenyl)methyl]thio}-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)-N-{[4’-(trifluoromethyl)-4-biphenylyl]methyl}acetamide 
• 919204-75-4 C₁₆H₁₆N₂O₃S 
• 370847-39-5 1 
• 329225-25-4 C₁₄H₁₃ClN₂OS 
• 927967-72-4 C₁₅H₁₆N₂OS 
• 919213-99-3 C₁₆H₁₈N₂OS 
• 371118-18-2 C₁₅H₁₆N₂OS 
• 1351525-76-2 C₁₅H₁₆N₂O₃S₂ 
• 1224625-57-3 C₁₅H₁₃F₃N₂O₂S 

Relevant articles and documents

Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3H)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3H)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate

The molecules of the title compounds, C7H8N 2OS, (1), C14H13FN2OS, (2), and C17H17FN2O3S, (3), crystallize in the space groups C2/m, C2/c and Ia, respectively. Compounds (1) and (2), an S-alkylated derivative of (1), consist of only one symmetry-independent molecule, while (3), an O-alkylated derivative of (2), contains two independent molecules in the asymmetric unit. The molecules of (1) sit on crystallographic mirror planes. In the supramolecular structure of (1), a combination of N - H?O and N - H?S hydrogen bonds creates a molecular strap with C(6) and R 2 2(8) motifs, which is further stabilized by an S?S contact. In the packing of (2), a one-dimensional molecular column is made up of two kinds of dimers. One dimer, with an R 2 2(18) motif, is formed by a pair of C - H?O soft hydrogen bonds and the other, with an R 2 2(8) motif, is produced via a pair of N - H?O hard hydrogen bonds. In the packing of (3), molecules A and B form two different types of one-dimensional chain by intermolecular C - H?N hydrogen bonds, and by C?N and O?S contacts, respectively. Two such kinds of chain are connected alternately via interchain C - H?O hydrogen bonds, giving a two-dimensional sheet. Finally, a three-dimensional supramolecular structure is formed through weak intersheet C - H?F hydrogen bonds. The study of the molecular and supramolecular structures of thiouracil derivatives is significant in the development of lipoprotein-associated phospholipase A2 inhibitors.

RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS

The present inventors have developed new radiolabeled Darapladib and analogs thereof which can be used for the specific detection of vulnerable atherosclerotic plaques by targeting lipoprotein-associated phospholipase A2 (Lp-PLA2) which is a biomarker of

SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS

We describe the use of comparative structural analysis and structure-guided molecular design to develop potent and selective inhibitors (10d and (S)-17b) of matrix metalloproteinase 13 (MMP-13). We applied a three-step process, starting with a comparative

HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS

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