![Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate structure](/static/products/3554/355416-57-8.webp)
Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate
TL;DR: Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate (CAS 355416-57-8) is a chemical compound with molecular formula C13H18N2OS3 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenoxy)ethylcarbamothioyl N,N-dimethylcarbamodithioate
Also Known As: 2-(3-methylphenoxy)ethylcarbamothioyl N,N-dimethylcarbamodithioate, DIMETHYLCARBAMOTHIOYL N-[2-(3-METHYLPHENOXY)ETHYL]CARBAMODITHIOATE, N,N-dimethyl-N'-[2-(3-methylphenoxy)ethyl]dicarbonotrithioic diamide, 1-(dimethylthiocarbamoylsulfanyl)-N-[2-(3-methylphenoxy)ethyl]methanethioamide
| Molecular Formula | C13H18N2OS3 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.82802 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05814 |
| Heavy Atoms | 19 |
| Complexity | 449.2694 |
Chemical Identifiers
| CAS Number | 355416-57-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCNC(=S)SC(=S)N(C)C |
Product Overview
Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate (CAS 355416-57-8), with molecular formula C13H18N2OS3 and molecular weight 314.06 g/mol. IUPAC: 2-(3-methylphenoxy)ethylcarbamothioyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate
Property Insights of Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate
The XLogP value of 2.82802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate. With a topological polar surface area (TPSA) of 24.5 Ų, Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate has 1 hydrogen bond donor(s) and 4 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 Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate?
The CAS number of Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate is 355416-57-8.
What is the molecular formula of Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate?
The molecular formula of Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate is C13H18N2OS3.
What is the molecular weight of Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate?
The molecular weight of Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate is 314.06 g/mol.
Where can I buy Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate?
You can request a quote for Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethylcarbamothioyl N-[2-(3-methylphenoxy)ethyl]carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.