4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one
TL;DR: 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one (CAS 114132-84-2) is a chemical compound with molecular formula C6H10N2O3S and molecular weight 190.04121 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,6R)-2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid
Also Known As: 4-Dmmtpo, Hydrazine,1,1-dimethyl-2-nitro, (4S,6R)-2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid, Cis-6-(mercaptomethyl)-2-oxohexahydropyrimidine-4-carboxylic acid, 2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid
Technical Specifications
| Molecular Formula | C6H10N2O3S |
| Molecular Weight | 190.04121 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.04121 Da |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
| SMILES | C1[C@@H](NC(=O)N[C@@H]1C(=O)O)CS |
| InChIKey | QBTQEFMFFFMOJH-DMTCNVIQSA-N |
Chemical Property Profile of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one
Property Insights of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one
The XLogP value of -0.5 indicates that 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one. Following Lipinski's Rule of Five, 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one?
The CAS number of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one is 114132-84-2.
What is the molecular formula of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one?
The molecular formula of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one is C6H10N2O3S.
What is the molecular weight of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one?
The molecular weight of 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one is 190.04121 g/mol.
Where can I buy 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one?
You can request a quote for 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for 4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.