3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate
TL;DR: 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate (CAS 286366-70-9) is a chemical compound with molecular formula C14H13NOS3 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-3-phenyl-1-thiophen-3-ylpropyl) carbamodithioate
Also Known As: Maybridge3_004688, 3-oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate, IDI1_016075, (3-oxo-3-phenyl-1-thiophen-3-ylpropyl) carbamodithioate, Carbamodithioic acid, 3-oxo-3-phenyl-1-(3-thienyl)propyl ester
| Molecular Formula | C14H13NOS3 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 4.039 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.01593 |
| Heavy Atoms | 19 |
| Complexity | 551.3348 |
Chemical Identifiers
| CAS Number | 286366-70-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C2=CSC=C2)SC(=S)N |
Product Overview
3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate (CAS 286366-70-9), with molecular formula C14H13NOS3 and molecular weight 307.02 g/mol. IUPAC: (3-oxo-3-phenyl-1-thiophen-3-ylpropyl) carbamodithioate.
Chemical Property Profile of 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate
Property Insights of 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate
The XLogP value of 4.039 indicates that 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate 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 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate?
The CAS number of 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate is 286366-70-9.
What is the molecular formula of 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate?
The molecular formula of 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate is C14H13NOS3.
What is the molecular weight of 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate?
The molecular weight of 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate is 307.02 g/mol.
Where can I buy 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate?
You can request a quote for 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.