Methyl 2,6-dimethylbenzene-1-carbodithioate
TL;DR: Methyl 2,6-dimethylbenzene-1-carbodithioate (CAS 58863-44-8) is a chemical compound with molecular formula C10H12S2 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dimethylbenzenecarbodithioate
Also Known As: methyl 2,6-dimethylbenzenecarbodithioate, Methyl 2,6-dimethylbenzene-1-carbodithioate
| Molecular Formula | C10H12S2 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.03804 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 58863-44-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)C(=S)SC |
| InChIKey | PDMOWFAWWCDLCS-UHFFFAOYSA-N |
Product Overview
Methyl 2,6-dimethylbenzene-1-carbodithioate (CAS 58863-44-8), with molecular formula C10H12S2 and molecular weight 196.04 g/mol. IUPAC: methyl 2,6-dimethylbenzenecarbodithioate.
Chemical Property Profile of Methyl 2,6-dimethylbenzene-1-carbodithioate
Property Insights of Methyl 2,6-dimethylbenzene-1-carbodithioate
The XLogP value of 3.6 indicates that Methyl 2,6-dimethylbenzene-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Methyl 2,6-dimethylbenzene-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,6-dimethylbenzene-1-carbodithioate 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 Methyl 2,6-dimethylbenzene-1-carbodithioate?
The CAS number of Methyl 2,6-dimethylbenzene-1-carbodithioate is 58863-44-8.
What is the molecular formula of Methyl 2,6-dimethylbenzene-1-carbodithioate?
The molecular formula of Methyl 2,6-dimethylbenzene-1-carbodithioate is C10H12S2.
What is the molecular weight of Methyl 2,6-dimethylbenzene-1-carbodithioate?
The molecular weight of Methyl 2,6-dimethylbenzene-1-carbodithioate is 196.04 g/mol.
Where can I buy Methyl 2,6-dimethylbenzene-1-carbodithioate?
You can request a quote for Methyl 2,6-dimethylbenzene-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6-dimethylbenzene-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-dimethylbenzene-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.