![2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/7369/736948-79-1.webp)
2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 736948-79-1) is a chemical compound with molecular formula C9H10N2OS2 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 5,6-dimethyl-2-(sulfanylmethyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one, 2-sulfanylmethyl-5,6-dimethylthieno-[2,3-d]pyrimidin-4(3h)-one
| Molecular Formula | C9H10N2OS2 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 2.03124 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.02345 |
| Heavy Atoms | 14 |
| Complexity | 541.4709 |
Chemical Identifiers
| CAS Number | 736948-79-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)CS)C |
Product Overview
2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 736948-79-1), with molecular formula C9H10N2OS2 and molecular weight 226.02 g/mol. IUPAC: 5,6-dimethyl-2-(sulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 2.03124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 4 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 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 736948-79-1.
What is the molecular formula of 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is C9H10N2OS2.
What is the molecular weight of 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 226.02 g/mol.
Where can I buy 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(mercaptomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.