Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester
TL;DR: Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester (CAS 126560-50-7) is a chemical compound with molecular formula C12H15NOS2 and molecular weight 253.05951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(2-ethenoxyethyl)carbamodithioate
Also Known As: Phenylmethyl (2-(ethenyloxy)ethyl)carbamodithioate, benzyl N-(2-ethenoxyethyl)carbamodithioate, Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester, Benzyl [2-(ethenyloxy)ethyl]carbamodithioate, BRN 3547705
Technical Specifications
| Molecular Formula | C12H15NOS2 |
| Molecular Weight | 253.05951 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.05951 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| SMILES | C=COCCNC(=S)SCC1=CC=CC=C1 |
| InChIKey | FBTFQGIBSVBBIQ-UHFFFAOYSA-N |
Chemical Property Profile of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester
Property Insights of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester
The XLogP value of 3.2 indicates that Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester 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
What is the CAS number of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester?
The CAS number of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester is 126560-50-7.
What is the molecular formula of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester?
The molecular formula of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester is C12H15NOS2.
What is the molecular weight of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester?
The molecular weight of Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester is 253.05951 g/mol.
Where can I buy Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester?
You can request a quote for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, (2-(ethenyloxy)ethyl)-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.