Carbanilic acid, p-iododithio-, methyl ester
TL;DR: Carbanilic acid, p-iododithio-, methyl ester (CAS 20976-14-1) is a chemical compound with molecular formula C8H8INS2 and molecular weight 308.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-iodophenyl)carbamodithioate
Also Known As: p-Iododithiocarbanilic acid methyl ester, methyl N-(4-iodophenyl)carbamodithioate, CARBANILIC ACID, p-IODODITHIO-, METHYL ESTER, Methyl (4-iodophenyl)carbamodithioate, RefChem:333182
| Molecular Formula | C8H8INS2 |
|---|---|
| Molecular Weight | 308.91 g/mol |
| LogP | 3.351 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.91428 |
| Heavy Atoms | 12 |
| Complexity | 270.89127 |
Chemical Identifiers
| CAS Number | 20976-14-1 |
|---|---|
| SMILES | CSC(=S)NC1=CC=C(C=C1)I |
Product Overview
Carbanilic acid, p-iododithio-, methyl ester (CAS 20976-14-1), with molecular formula C8H8INS2 and molecular weight 308.91 g/mol. IUPAC: methyl N-(4-iodophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, p-iododithio-, methyl ester
Property Insights of Carbanilic acid, p-iododithio-, methyl ester
The XLogP value of 3.351 indicates that Carbanilic acid, p-iododithio-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Carbanilic acid, p-iododithio-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, p-iododithio-, methyl ester has 1 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 Carbanilic acid, p-iododithio-, methyl ester?
The CAS number of Carbanilic acid, p-iododithio-, methyl ester is 20976-14-1.
What is the molecular formula of Carbanilic acid, p-iododithio-, methyl ester?
The molecular formula of Carbanilic acid, p-iododithio-, methyl ester is C8H8INS2.
What is the molecular weight of Carbanilic acid, p-iododithio-, methyl ester?
The molecular weight of Carbanilic acid, p-iododithio-, methyl ester is 308.91 g/mol.
Where can I buy Carbanilic acid, p-iododithio-, methyl ester?
You can request a quote for Carbanilic acid, p-iododithio-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, p-iododithio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, p-iododithio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.