2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine
TL;DR: 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine (CAS 354121-68-9) is a chemical compound with molecular formula C14H10Cl2N2S2 and molecular weight 339.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
Also Known As: 2-[(3,4-Dichlorobenzyl)sulfanyl]-1,3-benzothiazol-6-amine, 2-[[(3,4-Dichlorophenyl)methyl]thio]-6-benzothiazolamine, Benzothiazol-6-amine, 2-(3,4-dichlorobenzylthio)-, AN-988/14198009, 2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
| Molecular Formula | C14H10Cl2N2S2 |
|---|---|
| Molecular Weight | 339.97 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.96625 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 354121-68-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC2=NC3=C(S2)C=C(C=C3)N)Cl)Cl |
| InChIKey | JVXSNQXZGSNLNB-UHFFFAOYSA-N |
Product Overview
2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine (CAS 354121-68-9), with molecular formula C14H10Cl2N2S2 and molecular weight 339.97 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine.
Chemical Property Profile of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine
Property Insights of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine
The XLogP value of 5.3 indicates that 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine 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 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine. Following Lipinski's Rule of Five, 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine?
The CAS number of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine is 354121-68-9.
What is the molecular formula of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine?
The molecular formula of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine is C14H10Cl2N2S2.
What is the molecular weight of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine?
The molecular weight of 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine is 339.97 g/mol.
Where can I buy 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine?
You can request a quote for 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(((3,4-Dichlorophenyl)methyl)thio)-6-benzothiazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.