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 396.92496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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-
Technical Specifications
| Molecular Formula | C12H15NS7 |
| Molecular Weight | 396.92496 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 196.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.92496 Da |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
| SMILES | CCCCNC1(C(=S)SSSSSS1)C2=CC=CC=C2 |
| InChIKey | ZQWNKHVDSCAHQX-UHFFFAOYSA-N |
Chemical Property Profile of 8-(Butylamino)-8-phenylhexathiocane-7-thione
Property Insights of 8-(Butylamino)-8-phenylhexathiocane-7-thione
The XLogP value of 5.3 indicates that 8-(Butylamino)-8-phenylhexathiocane-7-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting 8-(Butylamino)-8-phenylhexathiocane-7-thione may have limited membrane permeability but good aqueous solubility. 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
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 396.92496 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(Butylamino)-8-phenylhexathiocane-7-thione?
Yes, CoreyChem 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.