![Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide structure](/static/products/4780/478029-84-4.webp)
Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide
TL;DR: Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide (CAS 478029-84-4) is a chemical compound with molecular formula C17H11ClN2S2 and molecular weight 342.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-chloro-[1]benzothiolo[3,2-d]pyrimidine
Also Known As: benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide, 2-benzylsulfanyl-4-chloro-[1]benzothiolo[3,2-d]pyrimidine, 2R-1307, 4-(benzylsulfanyl)-6-chloro-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C17H11ClN2S2 |
|---|---|
| Molecular Weight | 342.01 g/mol |
| LogP | 5.7902 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.00522 |
| Heavy Atoms | 22 |
| Complexity | 950.864 |
Chemical Identifiers
| CAS Number | 478029-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)SC4=CC=CC=C43 |
Product Overview
Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide (CAS 478029-84-4), with molecular formula C17H11ClN2S2 and molecular weight 342.01 g/mol. IUPAC: 2-benzylsulfanyl-4-chloro-[1]benzothiolo[3,2-d]pyrimidine.
Chemical Property Profile of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide
Property Insights of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide
The XLogP value of 5.7902 indicates that Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
The CAS number of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is 478029-84-4.
What is the molecular formula of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
The molecular formula of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is C17H11ClN2S2.
What is the molecular weight of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
The molecular weight of Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is 342.01 g/mol.
Where can I buy Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
You can request a quote for Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-chloro[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.