1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene
TL;DR: 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene (CAS 147622-09-1) is a chemical compound with molecular formula C10H7Cl2NO2S2 and molecular weight 306.92953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,2-dichloro-1-isothiocyanatoethenyl)sulfonyl-4-methylbenzene
Also Known As: 1-[(2,2-Dichloro-1-isothiocyanatovinyl)sulfonyl]-4-methylbenzene, 1-(2,2-dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene, 1-tosyl-2,2-dichloroethenyl isothiocyanate, 1-(2,2-dichloro-1-isothiocyanatoethenyl)sulfonyl-4-methylbenzene, L-5309
Technical Specifications
| Molecular Formula | C10H7Cl2NO2S2 |
| Molecular Weight | 306.92953 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.92953 Da |
| Heavy Atoms | 17 |
| Complexity | 449.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C(Cl)Cl)N=C=S |
| InChIKey | BMRVXVHHOAQEFJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene
Property Insights of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene
The XLogP value of 4.7 indicates that 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene. Following Lipinski's Rule of Five, 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene 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
What is the CAS number of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene?
The CAS number of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene is 147622-09-1.
What is the molecular formula of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene?
The molecular formula of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene is C10H7Cl2NO2S2.
What is the molecular weight of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene?
The molecular weight of 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene is 306.92953 g/mol.
Where can I buy 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene?
You can request a quote for 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(2,2-Dichloro-1-isothiocyanatoethenesulfonyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.