![2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one structure](/static/products/3845/38455-90-2.webp)
2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one
TL;DR: 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one (CAS 38455-90-2) is a chemical compound with molecular formula C8H8N2OS2 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one, ChemDiv1_004383, 5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, BAS 01023404, 5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C8H8N2OS2 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.00781 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 38455-90-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=S)N2)C |
| InChIKey | WPZYPEIFPBHUDG-UHFFFAOYSA-N |
Product Overview
2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one (CAS 38455-90-2), with molecular formula C8H8N2OS2 and molecular weight 212.01 g/mol. IUPAC: 5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one
Property Insights of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one. Following Lipinski's Rule of Five, 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one has 2 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 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one?
The CAS number of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one is 38455-90-2.
What is the molecular formula of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one?
The molecular formula of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one is C8H8N2OS2.
What is the molecular weight of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one?
The molecular weight of 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one is 212.01 g/mol.
Where can I buy 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one?
You can request a quote for 2-Mercapto-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-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.