![3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene structure](/static/products/885/885460-16-2.png)
3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
TL;DR: 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene (CAS 885460-16-2) is a chemical compound with molecular formula C12H13ClN2S2 and molecular weight 284.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(methylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene, 4-chloro-2-[(methylthio)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-chloro-2-(methylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 3-chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene
| Molecular Formula | C12H13ClN2S2 |
|---|---|
| Molecular Weight | 284.02 g/mol |
| LogP | 4.0865 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.02087 |
| Heavy Atoms | 17 |
| Complexity | 565.1212 |
Chemical Identifiers
| CAS Number | 885460-16-2 |
|---|---|
| SMILES | CSCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)Cl |
Product Overview
3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene (CAS 885460-16-2), with molecular formula C12H13ClN2S2 and molecular weight 284.02 g/mol. IUPAC: 4-chloro-2-(methylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
Property Insights of 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
The XLogP value of 4.0865 indicates that 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene has 0 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 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The CAS number of 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is 885460-16-2.
What is the molecular formula of 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The molecular formula of 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is C12H13ClN2S2.
What is the molecular weight of 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The molecular weight of 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is 284.02 g/mol.
Where can I buy 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
You can request a quote for 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-[(methylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.