N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide
TL;DR: N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide (CAS 80438-79-5) is a chemical compound with molecular formula C20H23NS3 and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide
Also Known As: N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide, RefChem:358985
| Molecular Formula | C20H23NS3 |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.09927 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 80438-79-5 |
|---|---|
| SMILES | CCN(CC)C(=S)C(=C(SC1=CC=CC=C1)SC2=CC=CC=C2)C |
| InChIKey | CTZYRAPEYLCNNK-UHFFFAOYSA-N |
Product Overview
N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide (CAS 80438-79-5), with molecular formula C20H23NS3 and molecular weight 373.10 g/mol. IUPAC: N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide.
Chemical Property Profile of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide
Property Insights of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide
The XLogP value of 6.0 indicates that N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide. Following Lipinski's Rule of Five, N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide?
The CAS number of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide is 80438-79-5.
What is the molecular formula of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide?
The molecular formula of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide is C20H23NS3.
What is the molecular weight of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide?
The molecular weight of N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide is 373.10 g/mol.
Where can I buy N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide?
You can request a quote for N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-2-methyl-3,3-bis(phenylsulfanyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.