6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione
TL;DR: 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione (CAS 80095-44-9) is a chemical compound with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione
Also Known As: 1,10-phenanthrolinedimethanol, 6-methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione, 6-methyl-5-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione, 5-(2-Mercaptoethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C7H10N2O2S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.0463 |
| Heavy Atoms | 12 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 80095-44-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)CCS |
| InChIKey | VWNAIDCQXQEDDU-UHFFFAOYSA-N |
Product Overview
6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione (CAS 80095-44-9), with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol. IUPAC: 6-methyl-5-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione
Property Insights of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione. With a topological polar surface area (TPSA) of 59.2 Ų, 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione?
The CAS number of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione is 80095-44-9.
What is the molecular formula of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione?
The molecular formula of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione is C7H10N2O2S.
What is the molecular weight of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione?
The molecular weight of 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione is 186.05 g/mol.
Where can I buy 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione?
You can request a quote for 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.