![3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione structure](/static/products/6330/63304-30-3.webp)
3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione
TL;DR: 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione (CAS 63304-30-3) is a chemical compound with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylanilino)methyl]-1,3-benzothiazole-2-thione
Also Known As: 3-[(4-methylanilino)methyl]-1,3-benzothiazole-2-thione, 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione
| Molecular Formula | C15H14N2S2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05984 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 63304-30-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCN2C3=CC=CC=C3SC2=S |
| InChIKey | JSJCWHMHVUTJQZ-UHFFFAOYSA-N |
Product Overview
3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione (CAS 63304-30-3), with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol. IUPAC: 3-[(4-methylanilino)methyl]-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione
Property Insights of 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione
The XLogP value of 4.6 indicates that 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione. Following Lipinski's Rule of Five, 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 3 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 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione?
The CAS number of 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione is 63304-30-3.
What is the molecular formula of 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione?
The molecular formula of 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione is C15H14N2S2.
What is the molecular weight of 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione?
The molecular weight of 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione is 286.06 g/mol.
Where can I buy 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione?
You can request a quote for 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.