苄基五氯丁-1,3-二烯基硫醚
TL;DR: 苄基五氯丁-1,3-二烯基硫醚 (CAS 111959-96-7) is a chemical compound with molecular formula C11H7Cl5S and molecular weight 345.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基五氯丁-1,3-二烯基硫醚
1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanylmethylbenzene
Also Known As: BPCBDS, Benzylpentachlorobuta-1,3-dienyl sulfide, Benzyl 1,2,3,4,4-pentachlorobutadienyl sulfide, Benzyl pentachlorobuta-1,3-dienyl sulfide, Benzyl1,2,3,4,4-pentachlorobutadienyl sulfide
| Molecular Formula | C11H7Cl5S |
|---|---|
| Molecular Weight | 345.87 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.87112 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 111959-96-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl |
| InChIKey | OCXCOAHYQNOLST-UHFFFAOYSA-N |
Product Overview
苄基五氯丁-1,3-二烯基硫醚 (CAS 111959-96-7), with molecular formula C11H7Cl5S and molecular weight 345.87 g/mol. IUPAC: 1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanylmethylbenzene.
Chemical Property Profile of 苄基五氯丁-1,3-二烯基硫醚
Property Insights of 苄基五氯丁-1,3-二烯基硫醚
The XLogP value of 6.3 indicates that 苄基五氯丁-1,3-二烯基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 苄基五氯丁-1,3-二烯基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基五氯丁-1,3-二烯基硫醚 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苄基五氯丁-1,3-二烯基硫醚?
The CAS number of 苄基五氯丁-1,3-二烯基硫醚 is 111959-96-7.
What is the molecular formula of 苄基五氯丁-1,3-二烯基硫醚?
The molecular formula of 苄基五氯丁-1,3-二烯基硫醚 is C11H7Cl5S.
What is the molecular weight of 苄基五氯丁-1,3-二烯基硫醚?
The molecular weight of 苄基五氯丁-1,3-二烯基硫醚 is 345.87 g/mol.
Where can I buy 苄基五氯丁-1,3-二烯基硫醚?
You can request a quote for 苄基五氯丁-1,3-二烯基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基五氯丁-1,3-二烯基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 苄基五氯丁-1,3-二烯基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.