1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)
TL;DR: 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) (CAS 40939-77-3) is a chemical compound with molecular formula C14H6Cl2N2O2S3 and molecular weight 399.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(4-chloro-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
Also Known As: 1,1'-sulfonylbis(4-chloro-3-isothiocyanatobenzene), KST-1B4086, 1-chloro-4-(4-chloro-3-isothiocyanatophenyl)sulfonyl-2-isoth, 1-chloro-4-(4-chloro-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
| Molecular Formula | C14H6Cl2N2O2S3 |
|---|---|
| Molecular Weight | 399.90 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.89685 |
| Heavy Atoms | 23 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 40939-77-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)N=C=S)N=C=S)Cl |
| InChIKey | FHJHLWIUWGIZCO-UHFFFAOYSA-N |
Product Overview
1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) (CAS 40939-77-3), with molecular formula C14H6Cl2N2O2S3 and molecular weight 399.90 g/mol. IUPAC: 1-chloro-4-(4-chloro-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene.
Chemical Property Profile of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)
Property Insights of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)
The XLogP value of 6.8 indicates that 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene). Following Lipinski's Rule of Five, 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)?
The CAS number of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) is 40939-77-3.
What is the molecular formula of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)?
The molecular formula of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) is C14H6Cl2N2O2S3.
What is the molecular weight of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)?
The molecular weight of 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) is 399.90 g/mol.
Where can I buy 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)?
You can request a quote for 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Sulfonylbis(4-chloro-3-isothiocyanatobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.