thiothixene
TL;DR: thiothixene (CAS 22189-31-7) is a chemical compound with molecular formula C23H35Cl2N3O4S2 and molecular weight 551.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrate;dihydrochloride
Also Known As: thiothixene
| Molecular Formula | C23H35Cl2N3O4S2 |
|---|---|
| Molecular Weight | 551.14 g/mol |
| LogP | 2.66 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 551.1446 |
| Heavy Atoms | 34 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 22189-31-7 |
|---|---|
| SMILES | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.O.O.Cl.Cl |
| InChIKey | MEUAAEMCZUPORO-UHFFFAOYSA-N |
Product Overview
thiothixene (CAS 22189-31-7), with molecular formula C23H35Cl2N3O4S2 and molecular weight 551.14 g/mol. IUPAC: N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrate;dihydrochloride.
Chemical Property Profile of thiothixene
Property Insights of thiothixene
The XLogP value of 2.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for thiothixene. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for thiothixene. Following Lipinski's Rule of Five, thiothixene has 4 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 thiothixene?
The CAS number of thiothixene is 22189-31-7.
What is the molecular formula of thiothixene?
The molecular formula of thiothixene is C23H35Cl2N3O4S2.
What is the molecular weight of thiothixene?
The molecular weight of thiothixene is 551.14 g/mol.
Where can I buy thiothixene?
You can request a quote for thiothixene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thiothixene?
Yes, KEHONG BIO provides custom synthesis services for thiothixene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.