Methyl benzenecarbodithioate
TL;DR: Methyl benzenecarbodithioate (CAS 2168-78-7) is a chemical compound with molecular formula C8H8S2 and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl benzenecarbodithioate
Also Known As: Methyl benzenecarbodithioate, Methyl dithiobenzoate, (Methylsulfanyl)(phenyl)methanethione, Benzenecarbodithioic acid, methyl ester, phenyldithioic methyl ester
| Molecular Formula | C8H8S2 |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.00674 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 2168-78-7 |
|---|---|
| SMILES | CSC(=S)C1=CC=CC=C1 |
| InChIKey | LVGCIELWBQKPOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl benzenecarbodithioate (CAS 2168-78-7), with molecular formula C8H8S2 and molecular weight 168.01 g/mol. IUPAC: methyl benzenecarbodithioate.
Chemical Property Profile of Methyl benzenecarbodithioate
Property Insights of Methyl benzenecarbodithioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzenecarbodithioate. With a topological polar surface area (TPSA) of 57.4 Ų, Methyl benzenecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl benzenecarbodithioate 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 benzenecarbodithioate?
The CAS number of Methyl benzenecarbodithioate is 2168-78-7.
What is the molecular formula of Methyl benzenecarbodithioate?
The molecular formula of Methyl benzenecarbodithioate is C8H8S2.
What is the molecular weight of Methyl benzenecarbodithioate?
The molecular weight of Methyl benzenecarbodithioate is 168.01 g/mol.
Where can I buy Methyl benzenecarbodithioate?
You can request a quote for Methyl benzenecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzenecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzenecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.