1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene
TL;DR: 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene (CAS 328021-28-9) is a chemical compound with molecular formula C9H4Cl3NO2S2 and molecular weight 326.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2,2-dichloro-1-isothiocyanatoethenyl)sulfonylbenzene
Also Known As: 1-chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene, 1-chloro-4-(2,2-dichloro-1-isothiocyanatoethenyl)sulfonylbenzene, F1085-0011
| Molecular Formula | C9H4Cl3NO2S2 |
|---|---|
| Molecular Weight | 326.87 g/mol |
| LogP | 3.8207 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.8749 |
| Heavy Atoms | 17 |
| Complexity | 597.63306 |
Chemical Identifiers
| CAS Number | 328021-28-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(=C(Cl)Cl)N=C=S)Cl |
Product Overview
1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene (CAS 328021-28-9), with molecular formula C9H4Cl3NO2S2 and molecular weight 326.87 g/mol. IUPAC: 1-chloro-4-(2,2-dichloro-1-isothiocyanatoethenyl)sulfonylbenzene.
Chemical Property Profile of 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene
Property Insights of 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene
The XLogP value of 3.8207 indicates that 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene 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 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene?
The CAS number of 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene is 328021-28-9.
What is the molecular formula of 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene?
The molecular formula of 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene is C9H4Cl3NO2S2.
What is the molecular weight of 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene?
The molecular weight of 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene is 326.87 g/mol.
Where can I buy 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene?
You can request a quote for 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-((2,2-dichloro-1-isothiocyanatovinyl)sulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.