Thiothixene dihydrochloride
TL;DR: Thiothixene dihydrochloride (CAS 49746-04-5) is a chemical compound with molecular formula C23H31Cl2N3O2S2 and molecular weight 515.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrochloride
Also Known As: Thiothixene dihydrochloride, Thiothixene Hydrochloride Anhydrous, Thiothixene Hydrochloride (anhydrous), Thiothixene hydrochloride anhydrous [USAN], N,N-Dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulfonamide dihydrochloride
| Molecular Formula | C23H31Cl2N3O2S2 |
|---|---|
| Molecular Weight | 515.12 g/mol |
| LogP | 4.3143 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.1235 |
| Heavy Atoms | 32 |
| Complexity | 1066.6613 |
Chemical Identifiers
| CAS Number | 49746-04-5 |
|---|---|
| SMILES | CN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.Cl.Cl |
Product Overview
Thiothixene dihydrochloride (CAS 49746-04-5), with molecular formula C23H31Cl2N3O2S2 and molecular weight 515.12 g/mol. IUPAC: (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrochloride.
Chemical Property Profile of Thiothixene dihydrochloride
Property Insights of Thiothixene dihydrochloride
The XLogP value of 4.3143 indicates that Thiothixene dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, Thiothixene dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiothixene dihydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiothixene dihydrochloride?
The CAS number of Thiothixene dihydrochloride is 49746-04-5.
What is the molecular formula of Thiothixene dihydrochloride?
The molecular formula of Thiothixene dihydrochloride is C23H31Cl2N3O2S2.
What is the molecular weight of Thiothixene dihydrochloride?
The molecular weight of Thiothixene dihydrochloride is 515.12 g/mol.
Where can I buy Thiothixene dihydrochloride?
You can request a quote for Thiothixene dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiothixene dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thiothixene dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.