4-甲氧基-间苯二异硫氰酸酯
TL;DR: 4-甲氧基-间苯二异硫氰酸酯 (CAS 75865-43-9) is a chemical compound with molecular formula C9H6N2OS2 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基-间苯二异硫氰酸酯
2,4-diisothiocyanato-1-methoxybenzene
Also Known As: 2,4-diisothiocyanato-1-methoxybenzene, Benzene, 2,4-diisothiocyanato-1-methoxy-, 4-Methoxyisothiocyanic acid m-phenylene ester, 4-Methoxy-m-phenylenediisothiocyanate, Benzene,4-diisothiocyanato-1-methoxy-
| Molecular Formula | C9H6N2OS2 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.99216 |
| Heavy Atoms | 14 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 75865-43-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N=C=S)N=C=S |
| InChIKey | JOBKGJDSUMJPRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基-间苯二异硫氰酸酯 (CAS 75865-43-9), with molecular formula C9H6N2OS2 and molecular weight 221.99 g/mol. IUPAC: 2,4-diisothiocyanato-1-methoxybenzene.
Chemical Property Profile of 4-甲氧基-间苯二异硫氰酸酯
Property Insights of 4-甲氧基-间苯二异硫氰酸酯
The XLogP value of 4.7 indicates that 4-甲氧基-间苯二异硫氰酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧基-间苯二异硫氰酸酯. Following Lipinski's Rule of Five, 4-甲氧基-间苯二异硫氰酸酯 has 0 hydrogen bond donor(s) and 5 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 4-甲氧基-间苯二异硫氰酸酯?
The CAS number of 4-甲氧基-间苯二异硫氰酸酯 is 75865-43-9.
What is the molecular formula of 4-甲氧基-间苯二异硫氰酸酯?
The molecular formula of 4-甲氧基-间苯二异硫氰酸酯 is C9H6N2OS2.
What is the molecular weight of 4-甲氧基-间苯二异硫氰酸酯?
The molecular weight of 4-甲氧基-间苯二异硫氰酸酯 is 221.99 g/mol.
Where can I buy 4-甲氧基-间苯二异硫氰酸酯?
You can request a quote for 4-甲氧基-间苯二异硫氰酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基-间苯二异硫氰酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基-间苯二异硫氰酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.