Benzenecarbodithioic acid, 4-amino-, methyl ester
TL;DR: Benzenecarbodithioic acid, 4-amino-, methyl ester (CAS 63358-85-0) is a chemical compound with molecular formula C8H9NS2 and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-aminobenzenecarbodithioate
Also Known As: Methyl 4-aminobenzenecarbodithioate, 3-Aminobenzenecarbodithioic acid methyl ester, Benzenecarbodithioic acid, 4-amino-, methyl ester, Methyl 4-aminobenzene-1-carbodithioate, Benzenecarbodithioic acid,4-amino-,methyl ester
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 63358-85-0 |
|---|---|
| SMILES | CSC(=S)C1=CC=C(C=C1)N |
| InChIKey | JIMNUMODUJITEG-UHFFFAOYSA-N |
Product Overview
Benzenecarbodithioic acid, 4-amino-, methyl ester (CAS 63358-85-0), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: methyl 4-aminobenzenecarbodithioate.
Chemical Property Profile of Benzenecarbodithioic acid, 4-amino-, methyl ester
Property Insights of Benzenecarbodithioic acid, 4-amino-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbodithioic acid, 4-amino-, methyl ester. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarbodithioic acid, 4-amino-, methyl ester. Following Lipinski's Rule of Five, Benzenecarbodithioic acid, 4-amino-, methyl ester has 1 hydrogen bond donor(s) and 3 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 Benzenecarbodithioic acid, 4-amino-, methyl ester?
The CAS number of Benzenecarbodithioic acid, 4-amino-, methyl ester is 63358-85-0.
What is the molecular formula of Benzenecarbodithioic acid, 4-amino-, methyl ester?
The molecular formula of Benzenecarbodithioic acid, 4-amino-, methyl ester is C8H9NS2.
What is the molecular weight of Benzenecarbodithioic acid, 4-amino-, methyl ester?
The molecular weight of Benzenecarbodithioic acid, 4-amino-, methyl ester is 183.02 g/mol.
Where can I buy Benzenecarbodithioic acid, 4-amino-, methyl ester?
You can request a quote for Benzenecarbodithioic acid, 4-amino-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbodithioic acid, 4-amino-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbodithioic acid, 4-amino-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.