![2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine structure](/static/products/4780/478029-83-3.webp)
2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine
TL;DR: 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine (CAS 478029-83-3) is a chemical compound with molecular formula C13H9ClN2S2 and molecular weight 291.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine
Also Known As: 2-(allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine, 2R-1306, 4-chloro-2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine, 6-chloro-4-(prop-2-en-1-ylsulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C13H9ClN2S2 |
|---|---|
| Molecular Weight | 291.99 g/mol |
| LogP | 4.776 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.98956 |
| Heavy Atoms | 18 |
| Complexity | 736.2635 |
Chemical Identifiers
| CAS Number | 478029-83-3 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C(=N1)Cl)SC3=CC=CC=C32 |
Product Overview
2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine (CAS 478029-83-3), with molecular formula C13H9ClN2S2 and molecular weight 291.99 g/mol. IUPAC: 4-chloro-2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine.
Chemical Property Profile of 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine
Property Insights of 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine
The XLogP value of 4.776 indicates that 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine 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 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine?
The CAS number of 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine is 478029-83-3.
What is the molecular formula of 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine?
The molecular formula of 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine is C13H9ClN2S2.
What is the molecular weight of 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine?
The molecular weight of 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine is 291.99 g/mol.
Where can I buy 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine?
You can request a quote for 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylsulfanyl)-4-chloro[1]benzothieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.