8-(Butylamino)-8-phenylhexathiocane-7-thione
TL;DR: 8-(Butylamino)-8-phenylhexathiocane-7-thione (CAS 1153-12-4) is a chemical compound with molecular formula C12H15NS7 and molecular weight 396.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butylamino)-8-phenylhexathiocane-7-thione
Also Known As: 8-(butylamino)-8-phenylhexathiocane-7-thione, BAS 00456773, 8-(butylamino)-8-phenyl-1,2,3,4,5,6-hexathiocane-7-thione, 7-Phenyl-7-(butylamino)-1,2,3,4,5,6-hexathiocane-8-thione, 1,2,3,4,5,6-Hexathiocane-7-thione, 8-(butylamino)-8-phenyl-
| Molecular Formula | C12H15NS7 |
|---|---|
| Molecular Weight | 396.92 g/mol |
| LogP | 6.5443 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.92496 |
| Heavy Atoms | 20 |
| Complexity | 427.07382 |
Chemical Identifiers
| CAS Number | 1153-12-4 |
|---|---|
| SMILES | CCCCNC1(C(=S)SSSSSS1)C2=CC=CC=C2 |
Product Overview
8-(Butylamino)-8-phenylhexathiocane-7-thione (CAS 1153-12-4), with molecular formula C12H15NS7 and molecular weight 396.92 g/mol. IUPAC: 8-(butylamino)-8-phenylhexathiocane-7-thione.
Chemical Property Profile of 8-(Butylamino)-8-phenylhexathiocane-7-thione
Property Insights of 8-(Butylamino)-8-phenylhexathiocane-7-thione
The XLogP value of 6.5443 indicates that 8-(Butylamino)-8-phenylhexathiocane-7-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 8-(Butylamino)-8-phenylhexathiocane-7-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Butylamino)-8-phenylhexathiocane-7-thione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(Butylamino)-8-phenylhexathiocane-7-thione?
The CAS number of 8-(Butylamino)-8-phenylhexathiocane-7-thione is 1153-12-4.
What is the molecular formula of 8-(Butylamino)-8-phenylhexathiocane-7-thione?
The molecular formula of 8-(Butylamino)-8-phenylhexathiocane-7-thione is C12H15NS7.
What is the molecular weight of 8-(Butylamino)-8-phenylhexathiocane-7-thione?
The molecular weight of 8-(Butylamino)-8-phenylhexathiocane-7-thione is 396.92 g/mol.
Where can I buy 8-(Butylamino)-8-phenylhexathiocane-7-thione?
You can request a quote for 8-(Butylamino)-8-phenylhexathiocane-7-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Butylamino)-8-phenylhexathiocane-7-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Butylamino)-8-phenylhexathiocane-7-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.