2-Chloro-6-Methylphenyl Isothiocyanate
TL;DR: 2-Chloro-6-Methylphenyl Isothiocyanate (CAS 19241-34-0) is a chemical compound with molecular formula C8H6ClNS and molecular weight 182.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-isothiocyanato-3-methylbenzene
Also Known As: 2-Chloro-6-Methylphenyl Isothiocyanate, 1-chloro-2-isothiocyanato-3-methylbenzene, 2-Chloro-6-methylphenylisothiocyanate, Benzene, 1-chloro-2-isothiocyanato-3-methyl-, 3-Chloro-2-isothiocyanatotoluene
| Molecular Formula | C8H6ClNS |
|---|---|
| Molecular Weight | 182.99 g/mol |
| LogP | 3.38272 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.99095 |
| Heavy Atoms | 11 |
| Complexity | 295.61813 |
Chemical Identifiers
| CAS Number | 19241-34-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)N=C=S |
Product Overview
2-Chloro-6-Methylphenyl Isothiocyanate (CAS 19241-34-0), with molecular formula C8H6ClNS and molecular weight 182.99 g/mol. IUPAC: 1-chloro-2-isothiocyanato-3-methylbenzene.
Chemical Property Profile of 2-Chloro-6-Methylphenyl Isothiocyanate
Property Insights of 2-Chloro-6-Methylphenyl Isothiocyanate
The XLogP value of 3.38272 indicates that 2-Chloro-6-Methylphenyl Isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2-Chloro-6-Methylphenyl Isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-Methylphenyl Isothiocyanate 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 2-Chloro-6-Methylphenyl Isothiocyanate?
The CAS number of 2-Chloro-6-Methylphenyl Isothiocyanate is 19241-34-0.
What is the molecular formula of 2-Chloro-6-Methylphenyl Isothiocyanate?
The molecular formula of 2-Chloro-6-Methylphenyl Isothiocyanate is C8H6ClNS.
What is the molecular weight of 2-Chloro-6-Methylphenyl Isothiocyanate?
The molecular weight of 2-Chloro-6-Methylphenyl Isothiocyanate is 182.99 g/mol.
Where can I buy 2-Chloro-6-Methylphenyl Isothiocyanate?
You can request a quote for 2-Chloro-6-Methylphenyl Isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-Methylphenyl Isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-Methylphenyl Isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.