C29H25N2S2.Cl
TL;DR: C29H25N2S2.Cl (CAS 1742-90-1) is a chemical compound with molecular formula C29H25ClN2S2 and molecular weight 500.11478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole chloride
Also Known As: Naphtho[1,2-d]thiazolium, 1-methyl-2-[2-[(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-butenyl]-, chloride, 1-Methyl-2-(2-((1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl)but-1-en-1-yl)naphtho[1,2-d]thiazol-1-ium chloride, 1-Methyl-2-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium chloride, Naphtho(1,2-d)thiazolium, 1-methyl-2-(2-((1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, chloride (1:1), Naphtho(1,2-d)thiazolium, 1-methyl-2-(2-((1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)-, chloride
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H25ClN2S2 |
| Molecular Weight | 500.11478 g/mol |
| XLogP | 4.91 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.11478 Da |
| Heavy Atoms | 34 |
| Complexity | 717.0 |
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)C=C4N(C5=C(S4)C=CC6=CC=CC=C65)C.[Cl-] |
| InChIKey | JTZQODFHTUJZPJ-UHFFFAOYSA-M |
Chemical Property Profile of C29H25N2S2.Cl
Property Insights of C29H25N2S2.Cl
The XLogP value of 4.91 indicates that C29H25N2S2.Cl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H25N2S2.Cl. Following Lipinski's Rule of Five, C29H25N2S2.Cl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H25N2S2.Cl?
The CAS number of C29H25N2S2.Cl is 1742-90-1.
What is the molecular formula of C29H25N2S2.Cl?
The molecular formula of C29H25N2S2.Cl is C29H25ClN2S2.
What is the molecular weight of C29H25N2S2.Cl?
The molecular weight of C29H25N2S2.Cl is 500.11478 g/mol.
Where can I buy C29H25N2S2.Cl?
You can request a quote for C29H25N2S2.Cl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H25N2S2.Cl?
Yes, CoreyChem provides custom synthesis services for C29H25N2S2.Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.