1-Isocyanato-2-(methylsulfanyl)benzene
TL;DR: 1-Isocyanato-2-(methylsulfanyl)benzene (CAS 52260-30-7) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-2-methylsulfanylbenzene
Also Known As: 2-(Methylthio)phenyl isocyanate, null, 2-Isocyanatothioanisole, 1-isocyanato-2-(methylsulfanyl)benzene, 2-(Methylthio)phenylisocyanate
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 2.3758 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 291.89847 |
Chemical Identifiers
| CAS Number | 52260-30-7 |
|---|---|
| SMILES | CSC1=CC=CC=C1N=C=O |
Product Overview
1-Isocyanato-2-(methylsulfanyl)benzene (CAS 52260-30-7), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 1-isocyanato-2-methylsulfanylbenzene.
Chemical Property Profile of 1-Isocyanato-2-(methylsulfanyl)benzene
Property Insights of 1-Isocyanato-2-(methylsulfanyl)benzene
The XLogP value of 2.3758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyanato-2-(methylsulfanyl)benzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Isocyanato-2-(methylsulfanyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-2-(methylsulfanyl)benzene 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 1-Isocyanato-2-(methylsulfanyl)benzene?
The CAS number of 1-Isocyanato-2-(methylsulfanyl)benzene is 52260-30-7.
What is the molecular formula of 1-Isocyanato-2-(methylsulfanyl)benzene?
The molecular formula of 1-Isocyanato-2-(methylsulfanyl)benzene is C8H7NOS.
What is the molecular weight of 1-Isocyanato-2-(methylsulfanyl)benzene?
The molecular weight of 1-Isocyanato-2-(methylsulfanyl)benzene is 165.02 g/mol.
Where can I buy 1-Isocyanato-2-(methylsulfanyl)benzene?
You can request a quote for 1-Isocyanato-2-(methylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-2-(methylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-2-(methylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.