Phenylmethyl N-(phenylmethyl)carbamodithioate
TL;DR: Phenylmethyl N-(phenylmethyl)carbamodithioate (CAS 1149-51-5) is a chemical compound with molecular formula C15H15NS2 and molecular weight 273.0646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-benzylcarbamodithioate
Also Known As: Benzyl benzylcarbamodithioate, Benzyldithiocarbamic acid benzyl ester, benzyl N-benzylcarbamodithioate, CARBAMIC ACID, BENZYLDITHIO-, BENZYL ESTER, K 47
Technical Specifications
| Molecular Formula | C15H15NS2 |
| Molecular Weight | 273.0646 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.0646 Da |
| Heavy Atoms | 18 |
| Complexity | 243.0 |
| SMILES | C1=CC=C(C=C1)CNC(=S)SCC2=CC=CC=C2 |
| InChIKey | ZFZFYOLSWJXPJK-UHFFFAOYSA-N |
Chemical Property Profile of Phenylmethyl N-(phenylmethyl)carbamodithioate
Property Insights of Phenylmethyl N-(phenylmethyl)carbamodithioate
The XLogP value of 4.1 indicates that Phenylmethyl N-(phenylmethyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethyl N-(phenylmethyl)carbamodithioate. Following Lipinski's Rule of Five, Phenylmethyl N-(phenylmethyl)carbamodithioate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenylmethyl N-(phenylmethyl)carbamodithioate?
The CAS number of Phenylmethyl N-(phenylmethyl)carbamodithioate is 1149-51-5.
What is the molecular formula of Phenylmethyl N-(phenylmethyl)carbamodithioate?
The molecular formula of Phenylmethyl N-(phenylmethyl)carbamodithioate is C15H15NS2.
What is the molecular weight of Phenylmethyl N-(phenylmethyl)carbamodithioate?
The molecular weight of Phenylmethyl N-(phenylmethyl)carbamodithioate is 273.0646 g/mol.
Where can I buy Phenylmethyl N-(phenylmethyl)carbamodithioate?
You can request a quote for Phenylmethyl N-(phenylmethyl)carbamodithioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylmethyl N-(phenylmethyl)carbamodithioate?
Yes, CoreyChem provides custom synthesis services for Phenylmethyl N-(phenylmethyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.