1,1'-Sulfonylbis(3-isothiocyanatobenzene)
TL;DR: 1,1'-Sulfonylbis(3-isothiocyanatobenzene) (CAS 41244-61-5) is a chemical compound with molecular formula C14H8N2O2S3 and molecular weight 331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene
Also Known As: 1,1'-sulfonylbis(3-isothiocyanatobenzene), KST-1B4085, bis(3-Isothiocyanatophenyl)sulphone, NCI60_000899, Benzene,1,1-sulfonylbis[3-isothiocyanato-
| Molecular Formula | C14H8N2O2S3 |
|---|---|
| Molecular Weight | 331.97 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.9748 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 41244-61-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=C=S)N=C=S |
| InChIKey | ATUCPLJJYLRXIH-UHFFFAOYSA-N |
Product Overview
1,1'-Sulfonylbis(3-isothiocyanatobenzene) (CAS 41244-61-5), with molecular formula C14H8N2O2S3 and molecular weight 331.97 g/mol. IUPAC: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene.
Chemical Property Profile of 1,1'-Sulfonylbis(3-isothiocyanatobenzene)
Property Insights of 1,1'-Sulfonylbis(3-isothiocyanatobenzene)
The XLogP value of 5.5 indicates that 1,1'-Sulfonylbis(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(3-isothiocyanatobenzene). Following Lipinski's Rule of Five, 1,1'-Sulfonylbis(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(3-isothiocyanatobenzene)?
The CAS number of 1,1'-Sulfonylbis(3-isothiocyanatobenzene) is 41244-61-5.
What is the molecular formula of 1,1'-Sulfonylbis(3-isothiocyanatobenzene)?
The molecular formula of 1,1'-Sulfonylbis(3-isothiocyanatobenzene) is C14H8N2O2S3.
What is the molecular weight of 1,1'-Sulfonylbis(3-isothiocyanatobenzene)?
The molecular weight of 1,1'-Sulfonylbis(3-isothiocyanatobenzene) is 331.97 g/mol.
Where can I buy 1,1'-Sulfonylbis(3-isothiocyanatobenzene)?
You can request a quote for 1,1'-Sulfonylbis(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(3-isothiocyanatobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Sulfonylbis(3-isothiocyanatobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.