3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione
TL;DR: 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione (CAS 60644-92-0) is a chemical compound with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(anilinomethyl)-1,3-benzothiazole-2-thione
Also Known As: 3-(anilinomethyl)-1,3-benzothiazole-2(3h)-thione, 3-(Anilinomethyl)benzothiazole-2-thione, 3-Anilinomethyl-2(3)-benzole thiazolethione, 3-(phenylaminomethyl)benzothiazoline-2-thione, 3-(anilinomethyl)-1,3-benzothiazole-2-thione
| Molecular Formula | C14H12N2S2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0442 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 60644-92-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C3=CC=CC=C3SC2=S |
| InChIKey | ILQSOMABDWQHPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione (CAS 60644-92-0), with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol. IUPAC: 3-(anilinomethyl)-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione
Property Insights of 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione
The XLogP value of 4.2 indicates that 3-(Anilinomethyl)-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-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione. Following Lipinski's Rule of Five, 3-(Anilinomethyl)-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-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione?
The CAS number of 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione is 60644-92-0.
What is the molecular formula of 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione?
The molecular formula of 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione is C14H12N2S2.
What is the molecular weight of 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione?
The molecular weight of 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione is 272.04 g/mol.
Where can I buy 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione?
You can request a quote for 3-(Anilinomethyl)-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-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Anilinomethyl)-1,3-benzothiazole-2(3h)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.