1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene
TL;DR: 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene (CAS 1021-56-3) is a chemical compound with molecular formula C10H8N2O2S3 and molecular weight 283.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-(2-isothiocyanatoethylsulfonyl)benzene
Also Known As: 1-Isothiocyanato-4-(2-isothiocyanato-ethylsulfonyl)-benzol, 1-isothiocyanato-4-(2-isothiocyanatoethylsulfonyl)benzene, 1-ISOTHIOCYANATO-4-((2-ISOTHIOCYANATOETHYL)SULFONYL)BENZENE
| Molecular Formula | C10H8N2O2S3 |
|---|---|
| Molecular Weight | 283.97 g/mol |
| LogP | 2.2974 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.9748 |
| Heavy Atoms | 17 |
| Complexity | 580.48193 |
Chemical Identifiers
| CAS Number | 1021-56-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)S(=O)(=O)CCN=C=S |
Product Overview
1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene (CAS 1021-56-3), with molecular formula C10H8N2O2S3 and molecular weight 283.97 g/mol. IUPAC: 1-isothiocyanato-4-(2-isothiocyanatoethylsulfonyl)benzene.
Chemical Property Profile of 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene
Property Insights of 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene
The XLogP value of 2.2974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene. With a topological polar surface area (TPSA) of 58.86 Ų, 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene has 0 hydrogen bond donor(s) and 6 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-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene?
The CAS number of 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene is 1021-56-3.
What is the molecular formula of 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene?
The molecular formula of 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene is C10H8N2O2S3.
What is the molecular weight of 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene?
The molecular weight of 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene is 283.97 g/mol.
Where can I buy 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene?
You can request a quote for 1-Isothiocyanato-4-((2-isothiocyanatoethyl)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-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isothiocyanato-4-((2-isothiocyanatoethyl)sulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.