![2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/851/851213-52-0.png)
2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CAS 851213-52-0) is a chemical compound with molecular formula C12H14N6OS2 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one, 2-{1-[(5-Amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C12H14N6OS2 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 2.15504 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.06705 |
| Heavy Atoms | 21 |
| Complexity | 864.3754 |
Chemical Identifiers
| CAS Number | 851213-52-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=NNC(=N3)N)C |
Product Overview
2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CAS 851213-52-0), with molecular formula C12H14N6OS2 and molecular weight 322.07 g/mol. IUPAC: 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 2.15504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one. The TPSA of 113.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has 3 hydrogen bond donor(s) and 7 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-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is 851213-52-0.
What is the molecular formula of 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is C12H14N6OS2.
What is the molecular weight of 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is 322.07 g/mol.
Where can I buy 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.