![9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- structure](/static/products/1397/139759-16-3.webp)
9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-
TL;DR: 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- (CAS 139759-16-3) is a chemical compound with molecular formula C15H19BS2 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-borabicyclo[3.3.1]nonan-9-yl benzenecarbodithioate
Also Known As: 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-, 9-borabicyclo[3.3.1]nonan-9-yl benzenecarbodithioate, 9-(Benzothioylsulfanyl)-9-borabicyclo[3.3.1]nonane, 9-(Benzothioylsulfanyl)-9-borabicyclo[3.3.1]nonane #, 9-Borabicyclo[3.3.1]nonane,9-[(phenylthioxomethyl)thio]
| Molecular Formula | C15H19BS2 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 5.195 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.1021 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 139759-16-3 |
|---|---|
| SMILES | B1(C2CCCC1CCC2)SC(=S)C3=CC=CC=C3 |
| InChIKey | JILFQKULDIHZKL-UHFFFAOYSA-N |
Product Overview
9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- (CAS 139759-16-3), with molecular formula C15H19BS2 and molecular weight 274.10 g/mol. IUPAC: 9-borabicyclo[3.3.1]nonan-9-yl benzenecarbodithioate.
Chemical Property Profile of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-
Property Insights of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-
The XLogP value of 5.195 indicates that 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-?
The CAS number of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- is 139759-16-3.
What is the molecular formula of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-?
The molecular formula of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- is C15H19BS2.
What is the molecular weight of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-?
The molecular weight of 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- is 274.10 g/mol.
Where can I buy 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-?
You can request a quote for 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 9-Borabicyclo[3.3.1]nonane, 9-[(phenylthioxomethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.