3-(Anilinomethyl)-2-benzothiazolinethione
TL;DR: 3-(Anilinomethyl)-2-benzothiazolinethione (CAS 5811-39-2) 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-(2-anilinoethyl)-1,3-benzothiazole-2-thione
Also Known As: Salicylanilid-O-essigsaeure, 3-(ANILINOMETHYL)-2-BENZOTHIAZOLINETHIONE, 3-(2-anilinoethyl)-1,3-benzothiazole-2-thione, 3-[2-(phenylamino)ethyl]-1,3-benzothiazole-2(3h)-thione, 2(3H)-Benzothiazolethione,3-[2-(phenylamino)ethyl]-
| Molecular Formula | C15H14N2S2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.05984 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 5811-39-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCN2C3=CC=CC=C3SC2=S |
| InChIKey | OLZIKXIFZSYGQX-UHFFFAOYSA-N |
Product Overview
3-(Anilinomethyl)-2-benzothiazolinethione (CAS 5811-39-2), with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol. IUPAC: 3-(2-anilinoethyl)-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-(Anilinomethyl)-2-benzothiazolinethione
Property Insights of 3-(Anilinomethyl)-2-benzothiazolinethione
The XLogP value of 4.1 indicates that 3-(Anilinomethyl)-2-benzothiazolinethione 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-(Anilinomethyl)-2-benzothiazolinethione. Following Lipinski's Rule of Five, 3-(Anilinomethyl)-2-benzothiazolinethione 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-(Anilinomethyl)-2-benzothiazolinethione?
The CAS number of 3-(Anilinomethyl)-2-benzothiazolinethione is 5811-39-2.
What is the molecular formula of 3-(Anilinomethyl)-2-benzothiazolinethione?
The molecular formula of 3-(Anilinomethyl)-2-benzothiazolinethione is C15H14N2S2.
What is the molecular weight of 3-(Anilinomethyl)-2-benzothiazolinethione?
The molecular weight of 3-(Anilinomethyl)-2-benzothiazolinethione is 286.06 g/mol.
Where can I buy 3-(Anilinomethyl)-2-benzothiazolinethione?
You can request a quote for 3-(Anilinomethyl)-2-benzothiazolinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Anilinomethyl)-2-benzothiazolinethione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Anilinomethyl)-2-benzothiazolinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.