4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one
TL;DR: 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one (CAS 128258-74-2) is a chemical compound with molecular formula C7H8Cl2OS4 and molecular weight 305.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one
Also Known As: 4,5-bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one, 4,5-Bis-(2-chloro-ethylsulfanyl)-[1,3]dithiol-2-one, 4,5-BIS(2-CHLORO-ETHYLSULFANYL)-[1,3]DITHIOL-2-ONE, bis[(2-chloroethyl)sulfanyl]-2H-1,3-dithiol-2-one, 4,5-Bis[(2-chloroethyl)sulfanyl]-2H-1,3-dithiol-2-one
| Molecular Formula | C7H8Cl2OS4 |
|---|---|
| Molecular Weight | 305.88 g/mol |
| LogP | 3.8316 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.8835 |
| Heavy Atoms | 14 |
| Complexity | 293.23486 |
Chemical Identifiers
| CAS Number | 128258-74-2 |
|---|---|
| SMILES | C(CCl)SC1=C(SC(=O)S1)SCCCl |
Product Overview
4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one (CAS 128258-74-2), with molecular formula C7H8Cl2OS4 and molecular weight 305.88 g/mol. IUPAC: 4,5-bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one.
Chemical Property Profile of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one
Property Insights of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one
The XLogP value of 3.8316 indicates that 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one has 0 hydrogen bond donor(s) and 5 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 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one?
The CAS number of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one is 128258-74-2.
What is the molecular formula of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one?
The molecular formula of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one is C7H8Cl2OS4.
What is the molecular weight of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one?
The molecular weight of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one is 305.88 g/mol.
Where can I buy 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one?
You can request a quote for 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.