1,5-Dichloro-2-isothiocyanato-3-methylbenzene
TL;DR: 1,5-Dichloro-2-isothiocyanato-3-methylbenzene (CAS 306935-83-1) is a chemical compound with molecular formula C8H5Cl2NS and molecular weight 216.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dichloro-2-isothiocyanato-3-methylbenzene
Also Known As: 1,5-dichloro-2-isothiocyanato-3-methylbenzene, 2,4-Dichloro-6-methylphenyl isothiocyanate, 2,4-dichloro-6-methylphenylisothiocyanate, Benzene, 1,5-dichloro-2-isothiocyanato-3-methyl-, 9697AD
| Molecular Formula | C8H5Cl2NS |
|---|---|
| Molecular Weight | 216.95 g/mol |
| LogP | 4.03612 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.95198 |
| Heavy Atoms | 12 |
| Complexity | 333.07065 |
Chemical Identifiers
| CAS Number | 306935-83-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N=C=S)Cl)Cl |
Product Overview
1,5-Dichloro-2-isothiocyanato-3-methylbenzene (CAS 306935-83-1), with molecular formula C8H5Cl2NS and molecular weight 216.95 g/mol. IUPAC: 1,5-dichloro-2-isothiocyanato-3-methylbenzene.
Chemical Property Profile of 1,5-Dichloro-2-isothiocyanato-3-methylbenzene
Property Insights of 1,5-Dichloro-2-isothiocyanato-3-methylbenzene
The XLogP value of 4.03612 indicates that 1,5-Dichloro-2-isothiocyanato-3-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 1,5-Dichloro-2-isothiocyanato-3-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dichloro-2-isothiocyanato-3-methylbenzene has 0 hydrogen bond donor(s) and 2 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 1,5-Dichloro-2-isothiocyanato-3-methylbenzene?
The CAS number of 1,5-Dichloro-2-isothiocyanato-3-methylbenzene is 306935-83-1.
What is the molecular formula of 1,5-Dichloro-2-isothiocyanato-3-methylbenzene?
The molecular formula of 1,5-Dichloro-2-isothiocyanato-3-methylbenzene is C8H5Cl2NS.
What is the molecular weight of 1,5-Dichloro-2-isothiocyanato-3-methylbenzene?
The molecular weight of 1,5-Dichloro-2-isothiocyanato-3-methylbenzene is 216.95 g/mol.
Where can I buy 1,5-Dichloro-2-isothiocyanato-3-methylbenzene?
You can request a quote for 1,5-Dichloro-2-isothiocyanato-3-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dichloro-2-isothiocyanato-3-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dichloro-2-isothiocyanato-3-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.