4-methylbenzenecarbodithioic Acid
TL;DR: 4-methylbenzenecarbodithioic Acid (CAS 2168-80-1) 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.
4-methylbenzenecarbodithioic acid
Also Known As: 4-methylbenzenecarbodithioic Acid, 4-Methyldithiobenzoic acid, 4-methylbenzodithioic acid, p-tolyldithiocarboxylic acid, 4-methylbenzene-1-carbodithioic acid
| Molecular Formula | C8H8S2 |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 2.60032 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.00674 |
| Heavy Atoms | 10 |
| Complexity | 235.93944 |
Chemical Identifiers
| CAS Number | 2168-80-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S)S |
Product Overview
4-methylbenzenecarbodithioic Acid (CAS 2168-80-1), with molecular formula C8H8S2 and molecular weight 168.01 g/mol. IUPAC: 4-methylbenzenecarbodithioic acid.
Chemical Property Profile of 4-methylbenzenecarbodithioic Acid
Property Insights of 4-methylbenzenecarbodithioic Acid
The XLogP value of 2.60032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylbenzenecarbodithioic Acid. With a topological polar surface area (TPSA) of 0.0 Ų, 4-methylbenzenecarbodithioic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methylbenzenecarbodithioic Acid has 1 hydrogen bond donor(s) and 1 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-methylbenzenecarbodithioic Acid?
The CAS number of 4-methylbenzenecarbodithioic Acid is 2168-80-1.
What is the molecular formula of 4-methylbenzenecarbodithioic Acid?
The molecular formula of 4-methylbenzenecarbodithioic Acid is C8H8S2.
What is the molecular weight of 4-methylbenzenecarbodithioic Acid?
The molecular weight of 4-methylbenzenecarbodithioic Acid is 168.01 g/mol.
Where can I buy 4-methylbenzenecarbodithioic Acid?
You can request a quote for 4-methylbenzenecarbodithioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylbenzenecarbodithioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methylbenzenecarbodithioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.