Benzenesulfonyl isothiocyanate, 4-methyl-
TL;DR: Benzenesulfonyl isothiocyanate, 4-methyl- (CAS 1424-52-8) is a chemical compound with molecular formula C8H7NO2S2 and molecular weight 212.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(sulfanylidenemethylidene)benzenesulfonamide
Also Known As: tosyl isothiocyanate, Benzenesulfonyl isothiocyanate, 4-methyl-, 4-methylbenzenesulfonyl isothiocyanate, 4-methylphenylsulfonylisothiocyanate, 4-methylbenzene-1-sulfonyl isothiocyanate
| Molecular Formula | C8H7NO2S2 |
|---|---|
| Molecular Weight | 212.99 g/mol |
| LogP | 1.78652 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.99182 |
| Heavy Atoms | 13 |
| Complexity | 441.5373 |
Chemical Identifiers
| CAS Number | 1424-52-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=S |
Product Overview
Benzenesulfonyl isothiocyanate, 4-methyl- (CAS 1424-52-8), with molecular formula C8H7NO2S2 and molecular weight 212.99 g/mol. IUPAC: 4-methyl-N-(sulfanylidenemethylidene)benzenesulfonamide.
Chemical Property Profile of Benzenesulfonyl isothiocyanate, 4-methyl-
Property Insights of Benzenesulfonyl isothiocyanate, 4-methyl-
The XLogP value of 1.78652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl isothiocyanate, 4-methyl-. With a topological polar surface area (TPSA) of 46.5 Ų, Benzenesulfonyl isothiocyanate, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonyl isothiocyanate, 4-methyl- has 0 hydrogen bond donor(s) and 3 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 Benzenesulfonyl isothiocyanate, 4-methyl-?
The CAS number of Benzenesulfonyl isothiocyanate, 4-methyl- is 1424-52-8.
What is the molecular formula of Benzenesulfonyl isothiocyanate, 4-methyl-?
The molecular formula of Benzenesulfonyl isothiocyanate, 4-methyl- is C8H7NO2S2.
What is the molecular weight of Benzenesulfonyl isothiocyanate, 4-methyl-?
The molecular weight of Benzenesulfonyl isothiocyanate, 4-methyl- is 212.99 g/mol.
Where can I buy Benzenesulfonyl isothiocyanate, 4-methyl-?
You can request a quote for Benzenesulfonyl isothiocyanate, 4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl isothiocyanate, 4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl isothiocyanate, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.