RefChem:307231
TL;DR: RefChem:307231 (CAS 82746-83-6) is a chemical compound with molecular formula C19H20N6S2 and molecular weight 396.11908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylpropylsulfanyl)-N-[(5-phenyltetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine
Also Known As: 6-Benzothiazolamine, 2-((2-methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-, 2-((2-Methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-6-benzothiazolamine, 2-(2-methylpropylsulfanyl)-N-[(5-phenyltetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine, 6-BENZOTHIAZOLAMINE, 2-((2-METHYLPROPYL)THIO)-N-((5-PHENYL-1H-TETRAZOL-1-YL)METH, 2-[(2-Methylpropyl)sulfanyl]-N-[(5-phenyl-1H-tetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine
Technical Specifications
| Molecular Formula | C19H20N6S2 |
| Molecular Weight | 396.11908 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.11908 Da |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
| SMILES | CC(C)CSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=CC=C4 |
| InChIKey | AUGBURTXABTMIJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:307231
Property Insights of RefChem:307231
The XLogP value of 5.6 indicates that RefChem:307231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:307231. Following Lipinski's Rule of Five, RefChem:307231 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:307231?
The CAS number of RefChem:307231 is 82746-83-6.
What is the molecular formula of RefChem:307231?
The molecular formula of RefChem:307231 is C19H20N6S2.
What is the molecular weight of RefChem:307231?
The molecular weight of RefChem:307231 is 396.11908 g/mol.
Where can I buy RefChem:307231?
You can request a quote for RefChem:307231 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:307231?
Yes, CoreyChem provides custom synthesis services for RefChem:307231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.