benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate
TL;DR: benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate (CAS 156664-38-9) is a chemical compound with molecular formula C16H24N4S2 and molecular weight 336.14423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate
Also Known As: starbld0028148, N,N-Dibutyl[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]carbothioamide, benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate, J1.835.532I, AE-018/31865038
Technical Specifications
| Molecular Formula | C16H24N4S2 |
| Molecular Weight | 336.14423 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.14423 Da |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
| SMILES | CCCCN(CCCC)C(=S)SCN1C2=CC=CC=C2N=N1 |
| InChIKey | FXICKTKKCCRIDM-UHFFFAOYSA-N |
Chemical Property Profile of benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate
Property Insights of benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate
The XLogP value of 4.9 indicates that benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate. Following Lipinski's Rule of Five, benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate has 0 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 benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate?
The CAS number of benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate is 156664-38-9.
What is the molecular formula of benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate?
The molecular formula of benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate is C16H24N4S2.
What is the molecular weight of benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate?
The molecular weight of benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate is 336.14423 g/mol.
Where can I buy benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate?
You can request a quote for benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate?
Yes, CoreyChem provides custom synthesis services for benzotriazol-1-ylmethyl N,N-dibutylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.