2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione
TL;DR: 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione (CAS 3336-61-6) is a chemical compound with molecular formula C14H13NS and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)cyclohepta-2,4,6-triene-1-thione
Also Known As: 2-(benzylamino)cyclohepta-2,4,6-triene-1-thione, BAS 01280730, 2-benzylamino-2,4,6-cycloheptatrienethione, 2-Benzylamino-cyclohepta-2,4,6-trienethione, 2-(benzylamino)cyclohepta-2,4,6-trienethione
| Molecular Formula | C14H13NS |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.07687 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 3336-61-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC=CC=CC2=S |
| InChIKey | AFMWRWOWBIJIAH-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione (CAS 3336-61-6), with molecular formula C14H13NS and molecular weight 227.08 g/mol. IUPAC: 2-(benzylamino)cyclohepta-2,4,6-triene-1-thione.
Chemical Property Profile of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione
Property Insights of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione
The XLogP value of 3.9 indicates that 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione has 1 hydrogen bond donor(s) and 2 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 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione?
The CAS number of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione is 3336-61-6.
What is the molecular formula of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione?
The molecular formula of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione is C14H13NS.
What is the molecular weight of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione?
The molecular weight of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione is 227.08 g/mol.
Where can I buy 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione?
You can request a quote for 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.