Methyl 4-methylbenzenecarbodithioate
TL;DR: Methyl 4-methylbenzenecarbodithioate (CAS 5977-87-7) is a chemical compound with molecular formula C9H10S2 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methylbenzenecarbodithioate
Also Known As: methyl 4-methylbenzodithioate, Methyl dithio-4-methylbenzoate, Methyl 4-methylbenzenecarbodithioate, methyl 4-methylbenzene-1-carbodithioate, Methyl 4-methylbenzenecarbodithioate #
| Molecular Formula | C9H10S2 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0224 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 5977-87-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S)SC |
| InChIKey | KKVWORPUZUTZMT-UHFFFAOYSA-N |
Product Overview
Methyl 4-methylbenzenecarbodithioate (CAS 5977-87-7), with molecular formula C9H10S2 and molecular weight 182.02 g/mol. IUPAC: methyl 4-methylbenzenecarbodithioate.
Chemical Property Profile of Methyl 4-methylbenzenecarbodithioate
Property Insights of Methyl 4-methylbenzenecarbodithioate
The XLogP value of 3.5 indicates that Methyl 4-methylbenzenecarbodithioate 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 4-methylbenzenecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methylbenzenecarbodithioate 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 4-methylbenzenecarbodithioate?
The CAS number of Methyl 4-methylbenzenecarbodithioate is 5977-87-7.
What is the molecular formula of Methyl 4-methylbenzenecarbodithioate?
The molecular formula of Methyl 4-methylbenzenecarbodithioate is C9H10S2.
What is the molecular weight of Methyl 4-methylbenzenecarbodithioate?
The molecular weight of Methyl 4-methylbenzenecarbodithioate is 182.02 g/mol.
Where can I buy Methyl 4-methylbenzenecarbodithioate?
You can request a quote for Methyl 4-methylbenzenecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methylbenzenecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methylbenzenecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.