methyl N-(1-phenylpropylideneamino)carbamodithioate
TL;DR: methyl N-(1-phenylpropylideneamino)carbamodithioate (CAS 26155-59-9) is a chemical compound with molecular formula C11H14N2S2 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1-phenylpropylideneamino)carbamodithioate
Also Known As: methyl N-(1-phenylpropylideneamino)carbamodithioate, methyl N-[(E)-1-phenylpropylideneamino]carbamodithioate
| Molecular Formula | C11H14N2S2 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 3.0382 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.05984 |
| Heavy Atoms | 15 |
| Complexity | 346.86536 |
Chemical Identifiers
| CAS Number | 26155-59-9 |
|---|---|
| SMILES | CCC(=NNC(=S)SC)C1=CC=CC=C1 |
Product Overview
methyl N-(1-phenylpropylideneamino)carbamodithioate (CAS 26155-59-9), with molecular formula C11H14N2S2 and molecular weight 238.06 g/mol. IUPAC: methyl N-(1-phenylpropylideneamino)carbamodithioate.
Chemical Property Profile of methyl N-(1-phenylpropylideneamino)carbamodithioate
Property Insights of methyl N-(1-phenylpropylideneamino)carbamodithioate
The XLogP value of 3.0382 indicates that methyl N-(1-phenylpropylideneamino)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, methyl N-(1-phenylpropylideneamino)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(1-phenylpropylideneamino)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-(1-phenylpropylideneamino)carbamodithioate?
The CAS number of methyl N-(1-phenylpropylideneamino)carbamodithioate is 26155-59-9.
What is the molecular formula of methyl N-(1-phenylpropylideneamino)carbamodithioate?
The molecular formula of methyl N-(1-phenylpropylideneamino)carbamodithioate is C11H14N2S2.
What is the molecular weight of methyl N-(1-phenylpropylideneamino)carbamodithioate?
The molecular weight of methyl N-(1-phenylpropylideneamino)carbamodithioate is 238.06 g/mol.
Where can I buy methyl N-(1-phenylpropylideneamino)carbamodithioate?
You can request a quote for methyl N-(1-phenylpropylideneamino)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-(1-phenylpropylideneamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(1-phenylpropylideneamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.