Phenylmethyl carbamodithioate
TL;DR: Phenylmethyl carbamodithioate (CAS 54895-19-1) is a chemical compound with molecular formula C8H9NS2 and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamodithioate
Also Known As: Benzyl dithiocarbamate, benzyl carbamodithioate, S-Benzyldithiocarbamate, S-benzyl dithiocarbamate, Dithiocarbamicacidbenzylester
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 2.1634 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 233.1072 |
Chemical Identifiers
| CAS Number | 54895-19-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=S)N |
Product Overview
Phenylmethyl carbamodithioate (CAS 54895-19-1), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: benzyl carbamodithioate.
Chemical Property Profile of Phenylmethyl carbamodithioate
Property Insights of Phenylmethyl carbamodithioate
The XLogP value of 2.1634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl carbamodithioate. With a topological polar surface area (TPSA) of 26.02 Ų, Phenylmethyl carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of Phenylmethyl carbamodithioate?
The CAS number of Phenylmethyl carbamodithioate is 54895-19-1.
What is the molecular formula of Phenylmethyl carbamodithioate?
The molecular formula of Phenylmethyl carbamodithioate is C8H9NS2.
What is the molecular weight of Phenylmethyl carbamodithioate?
The molecular weight of Phenylmethyl carbamodithioate is 183.02 g/mol.
Where can I buy Phenylmethyl carbamodithioate?
You can request a quote for Phenylmethyl carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.