![5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one structure](/static/products/7832/783296-61-7.webp)
5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
TL;DR: 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 783296-61-7) is a chemical compound with molecular formula C13H11N3OS3 and molecular weight 321.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 2-Mercapto-3-thiazol-2-yl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one, 2-sulfanyl-3-(1,3-thiazol-2-yl)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]py rimidin-4-one, 2-sulfanylidene-3-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo7.4.0.0,2,7trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C13H11N3OS3 |
|---|---|
| Molecular Weight | 321.01 g/mol |
| LogP | 3.44509 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.00644 |
| Heavy Atoms | 20 |
| Complexity | 901.46954 |
Chemical Identifiers
| CAS Number | 783296-61-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C4=NC=CS4 |
Product Overview
5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 783296-61-7), with molecular formula C13H11N3OS3 and molecular weight 321.01 g/mol. IUPAC: 2-sulfanylidene-3-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Property Insights of 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 3.44509 indicates that 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one has 1 hydrogen bond donor(s) and 5 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 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 783296-61-7.
What is the molecular formula of 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is C13H11N3OS3.
What is the molecular weight of 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 321.01 g/mol.
Where can I buy 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
You can request a quote for 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Sulfanyl-4-(1,3-thiazol-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.