对甲苯磺酰甲基异腈
TL;DR: 对甲苯磺酰甲基异腈 (CAS 79047-38-4) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲苯磺酰甲基异腈
1-(isocyanomethylsulfonyl)-4-methylbenzene
Also Known As: Tosylmethyl isocyanide, TosMIC, p-Toluenesulfonylmethyl isocyanide, Tosylmethylisocyanide, TMIC isocyanide
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 79047-38-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-] |
| InChIKey | CFOAUYCPAUGDFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲苯磺酰甲基异腈 (CAS 79047-38-4), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 1-(isocyanomethylsulfonyl)-4-methylbenzene.
Chemical Property Profile of 对甲苯磺酰甲基异腈
Property Insights of 对甲苯磺酰甲基异腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲苯磺酰甲基异腈. With a topological polar surface area (TPSA) of 46.9 Ų, 对甲苯磺酰甲基异腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲苯磺酰甲基异腈 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 对甲苯磺酰甲基异腈?
The CAS number of 对甲苯磺酰甲基异腈 is 79047-38-4.
What is the molecular formula of 对甲苯磺酰甲基异腈?
The molecular formula of 对甲苯磺酰甲基异腈 is C9H9NO2S.
What is the molecular weight of 对甲苯磺酰甲基异腈?
The molecular weight of 对甲苯磺酰甲基异腈 is 195.04 g/mol.
Where can I buy 对甲苯磺酰甲基异腈?
You can request a quote for 对甲苯磺酰甲基异腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯磺酰甲基异腈?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯磺酰甲基异腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.