methyl N-(4-methoxyphenyl)carbamodithioate
TL;DR: methyl N-(4-methoxyphenyl)carbamodithioate (CAS 34956-06-4) is a chemical compound with molecular formula C9H11NOS2 and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-methoxyphenyl)carbamodithioate
Also Known As: methyl N-(4-methoxyphenyl)carbamodithioate, methyl (4-methoxyphenyl)carbamodithioate, methyl 4-methoxyphenyldithiocarbamate, N-(4-methoxyphenyl)(methylsulfanyl)carbothioamide, Carbamodithioic acid, (4-methoxyphenyl)-, methyl ester
| Molecular Formula | C9H11NOS2 |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 2.755 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.02821 |
| Heavy Atoms | 13 |
| Complexity | 284.1711 |
Chemical Identifiers
| CAS Number | 34956-06-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)SC |
Product Overview
methyl N-(4-methoxyphenyl)carbamodithioate (CAS 34956-06-4), with molecular formula C9H11NOS2 and molecular weight 213.03 g/mol. IUPAC: methyl N-(4-methoxyphenyl)carbamodithioate.
Chemical Property Profile of methyl N-(4-methoxyphenyl)carbamodithioate
Property Insights of methyl N-(4-methoxyphenyl)carbamodithioate
The XLogP value of 2.755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(4-methoxyphenyl)carbamodithioate. With a topological polar surface area (TPSA) of 21.26 Ų, methyl N-(4-methoxyphenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(4-methoxyphenyl)carbamodithioate 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 methyl N-(4-methoxyphenyl)carbamodithioate?
The CAS number of methyl N-(4-methoxyphenyl)carbamodithioate is 34956-06-4.
What is the molecular formula of methyl N-(4-methoxyphenyl)carbamodithioate?
The molecular formula of methyl N-(4-methoxyphenyl)carbamodithioate is C9H11NOS2.
What is the molecular weight of methyl N-(4-methoxyphenyl)carbamodithioate?
The molecular weight of methyl N-(4-methoxyphenyl)carbamodithioate is 213.03 g/mol.
Where can I buy methyl N-(4-methoxyphenyl)carbamodithioate?
You can request a quote for methyl N-(4-methoxyphenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-methoxyphenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-methoxyphenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.