1,3-Bis(phenylsulfanyl)azulene
TL;DR: 1,3-Bis(phenylsulfanyl)azulene (CAS 29978-69-6) is a chemical compound with molecular formula C22H16S2 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(phenylsulfanyl)azulene
Also Known As: 1,3-bis(phenylsulfanyl)azulene, 1,3-bis(phenylthio)azulene, Azulene,1,3-bis(phenylthio)-, KST-1B2844
| Molecular Formula | C22H16S2 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.06934 |
| Heavy Atoms | 24 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 29978-69-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=C3C2=CC=CC=C3)SC4=CC=CC=C4 |
| InChIKey | ISUCIFMNDZVNFN-UHFFFAOYSA-N |
Product Overview
1,3-Bis(phenylsulfanyl)azulene (CAS 29978-69-6), with molecular formula C22H16S2 and molecular weight 344.07 g/mol. IUPAC: 1,3-bis(phenylsulfanyl)azulene.
Chemical Property Profile of 1,3-Bis(phenylsulfanyl)azulene
Property Insights of 1,3-Bis(phenylsulfanyl)azulene
The XLogP value of 7.0 indicates that 1,3-Bis(phenylsulfanyl)azulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Bis(phenylsulfanyl)azulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(phenylsulfanyl)azulene 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 1,3-Bis(phenylsulfanyl)azulene?
The CAS number of 1,3-Bis(phenylsulfanyl)azulene is 29978-69-6.
What is the molecular formula of 1,3-Bis(phenylsulfanyl)azulene?
The molecular formula of 1,3-Bis(phenylsulfanyl)azulene is C22H16S2.
What is the molecular weight of 1,3-Bis(phenylsulfanyl)azulene?
The molecular weight of 1,3-Bis(phenylsulfanyl)azulene is 344.07 g/mol.
Where can I buy 1,3-Bis(phenylsulfanyl)azulene?
You can request a quote for 1,3-Bis(phenylsulfanyl)azulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(phenylsulfanyl)azulene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(phenylsulfanyl)azulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.