1,2-Dichloroethenylsulfanylmethylbenzene
TL;DR: 1,2-Dichloroethenylsulfanylmethylbenzene (CAS 91085-62-0) is a chemical compound with molecular formula C9H8Cl2S and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloroethenylsulfanylmethylbenzene
Also Known As: Benzyl 1,2-dichlorovinyl sulfide
| Molecular Formula | C9H8Cl2S |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.97238 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 91085-62-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=CCl)Cl |
| InChIKey | GRWSOMTVEZZLOU-UHFFFAOYSA-N |
Product Overview
1,2-Dichloroethenylsulfanylmethylbenzene (CAS 91085-62-0), with molecular formula C9H8Cl2S and molecular weight 217.97 g/mol. IUPAC: 1,2-dichloroethenylsulfanylmethylbenzene.
Chemical Property Profile of 1,2-Dichloroethenylsulfanylmethylbenzene
Property Insights of 1,2-Dichloroethenylsulfanylmethylbenzene
The XLogP value of 4.0 indicates that 1,2-Dichloroethenylsulfanylmethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1,2-Dichloroethenylsulfanylmethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloroethenylsulfanylmethylbenzene has 0 hydrogen bond donor(s) and 1 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 1,2-Dichloroethenylsulfanylmethylbenzene?
The CAS number of 1,2-Dichloroethenylsulfanylmethylbenzene is 91085-62-0.
What is the molecular formula of 1,2-Dichloroethenylsulfanylmethylbenzene?
The molecular formula of 1,2-Dichloroethenylsulfanylmethylbenzene is C9H8Cl2S.
What is the molecular weight of 1,2-Dichloroethenylsulfanylmethylbenzene?
The molecular weight of 1,2-Dichloroethenylsulfanylmethylbenzene is 217.97 g/mol.
Where can I buy 1,2-Dichloroethenylsulfanylmethylbenzene?
You can request a quote for 1,2-Dichloroethenylsulfanylmethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloroethenylsulfanylmethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloroethenylsulfanylmethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.