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Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- structure
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Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-

TL;DR: Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- (CAS 107110-44-1) is a chemical compound with molecular formula C15H15N2S+ and molecular weight 255.0956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-methyl-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Also Known As: Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-, 3-methyl-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole, 3-methyl-2-[(1-methylpyridin-4-yl)methylidene]benzothiazole, 1-Methyl-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]pyridin-1-ium, GNF-Pf-4377

CAS Number
107110-44-1
Molecular Formula
C15H15N2S+
Molecular Weight
255.0956 g/mol
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Technical Specifications

Molecular FormulaC15H15N2S+
Molecular Weight255.0956 g/mol
XLogP3.4
Topological Polar Surface Area (TPSA)32.4 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds1
Exact Mass255.0956 Da
Heavy Atoms18
Complexity320.0
SMILESCN1C2=CC=CC=C2SC1=CC3=CC=[N+](C=C3)C
InChIKeyAZGHYNKGZARINK-UHFFFAOYSA-N

Chemical Property Profile of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-

XLogP
3.4
TPSA (Topological Polar Surface Area)
32.4
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
18
Complexity
320.0
Exact Mass
255.0956
Monoisotopic Mass
255.0956
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-

The XLogP value of 3.4 indicates that Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.4 Ų, Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-?

The CAS number of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- is 107110-44-1.

What is the molecular formula of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-?

The molecular formula of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- is C15H15N2S+.

What is the molecular weight of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-?

The molecular weight of Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- is 255.0956 g/mol.

Where can I buy Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-?

You can request a quote for Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]-?

Yes, CoreyChem provides custom synthesis services for Benzothiazolium, 3-methyl-2-[(1-methyl-4(1H)-pyridinylidene)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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