(2-Methoxyphenyl)carbamodithioic acid
TL;DR: (2-Methoxyphenyl)carbamodithioic acid (CAS 49791-47-1) is a chemical compound with molecular formula C8H9NOS2 and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl)carbamodithioic acid
Also Known As: (2-methoxyphenyl)carbamodithioic acid, Carbamodithioic acid, (2-methoxyphenyl)-, Carbamodithioic acid,(2-methoxyphenyl), (2-Methoxyphenyl)carbamodithioic acid ammoniate
| Molecular Formula | C8H9NOS2 |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | 2.3218 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.01256 |
| Heavy Atoms | 12 |
| Complexity | 288.14127 |
Chemical Identifiers
| CAS Number | 49791-47-1 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=S)S |
Product Overview
(2-Methoxyphenyl)carbamodithioic acid (CAS 49791-47-1), with molecular formula C8H9NOS2 and molecular weight 199.01 g/mol. IUPAC: (2-methoxyphenyl)carbamodithioic acid.
Chemical Property Profile of (2-Methoxyphenyl)carbamodithioic acid
Property Insights of (2-Methoxyphenyl)carbamodithioic acid
The XLogP value of 2.3218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxyphenyl)carbamodithioic acid. With a topological polar surface area (TPSA) of 21.26 Ų, (2-Methoxyphenyl)carbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methoxyphenyl)carbamodithioic acid has 2 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 (2-Methoxyphenyl)carbamodithioic acid?
The CAS number of (2-Methoxyphenyl)carbamodithioic acid is 49791-47-1.
What is the molecular formula of (2-Methoxyphenyl)carbamodithioic acid?
The molecular formula of (2-Methoxyphenyl)carbamodithioic acid is C8H9NOS2.
What is the molecular weight of (2-Methoxyphenyl)carbamodithioic acid?
The molecular weight of (2-Methoxyphenyl)carbamodithioic acid is 199.01 g/mol.
Where can I buy (2-Methoxyphenyl)carbamodithioic acid?
You can request a quote for (2-Methoxyphenyl)carbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methoxyphenyl)carbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Methoxyphenyl)carbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.