4-(2-Benzothiazol-2-ylthio)aniline
TL;DR: 4-(2-Benzothiazol-2-ylthio)aniline (CAS 25712-17-8) is a chemical compound with molecular formula C13H10N2S2 and molecular weight 258.02853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzothiazol-2-ylsulfanyl)aniline
Also Known As: Not Available, 4-(2-Benzothiazol-2-ylthio)aniline, Methyl4-chlorophenylacetate, 4-(Benzo[d]Thiazol-2-ylthio)aniline, 4-(1,3-benzothiazol-2-ylsulfanyl)aniline
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10N2S2 |
| Molecular Weight | 258.02853 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.02853 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(C=C3)N |
| InChIKey | PZVWKCGKIADPAU-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Benzothiazol-2-ylthio)aniline
Property Insights of 4-(2-Benzothiazol-2-ylthio)aniline
The XLogP value of 4.0 indicates that 4-(2-Benzothiazol-2-ylthio)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Benzothiazol-2-ylthio)aniline. Following Lipinski's Rule of Five, 4-(2-Benzothiazol-2-ylthio)aniline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2-Benzothiazol-2-ylthio)aniline?
The CAS number of 4-(2-Benzothiazol-2-ylthio)aniline is 25712-17-8.
What is the molecular formula of 4-(2-Benzothiazol-2-ylthio)aniline?
The molecular formula of 4-(2-Benzothiazol-2-ylthio)aniline is C13H10N2S2.
What is the molecular weight of 4-(2-Benzothiazol-2-ylthio)aniline?
The molecular weight of 4-(2-Benzothiazol-2-ylthio)aniline is 258.02853 g/mol.
Where can I buy 4-(2-Benzothiazol-2-ylthio)aniline?
You can request a quote for 4-(2-Benzothiazol-2-ylthio)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Benzothiazol-2-ylthio)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(2-Benzothiazol-2-ylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.