Thiothixene (USAN:USP)
TL;DR: Thiothixene (USAN:USP) (CAS 5591-45-7) is a chemical compound with molecular formula C23H29N3O2S2 and molecular weight 443.17 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
Also Known As: thiothixene, Orbinamon, Tiotixene, Navan, Navaron
| Molecular Formula | C23H29N3O2S2 |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.1701 |
| Heavy Atoms | 30 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 5591-45-7 |
|---|---|
| SMILES | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C |
| InChIKey | GFBKORZTTCHDGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiothixene (USAN:USP) (CAS 5591-45-7), with molecular formula C23H29N3O2S2 and molecular weight 443.17 g/mol. IUPAC: N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide.
Chemical Property Profile of Thiothixene (USAN:USP)
Property Insights of Thiothixene (USAN:USP)
The XLogP value of 3.8 indicates that Thiothixene (USAN:USP) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiothixene (USAN:USP). Following Lipinski's Rule of Five, Thiothixene (USAN:USP) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiothixene (USAN:USP)?
The CAS number of Thiothixene (USAN:USP) is 5591-45-7.
What is the molecular formula of Thiothixene (USAN:USP)?
The molecular formula of Thiothixene (USAN:USP) is C23H29N3O2S2.
What is the molecular weight of Thiothixene (USAN:USP)?
The molecular weight of Thiothixene (USAN:USP) is 443.17 g/mol.
Where can I buy Thiothixene (USAN:USP)?
You can request a quote for Thiothixene (USAN:USP) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiothixene (USAN:USP)?
Yes, KEHONG BIO provides custom synthesis services for Thiothixene (USAN:USP) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.