Benzyldithiocarbamic acid
TL;DR: Benzyldithiocarbamic acid (CAS 15867-06-8) 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.
benzylcarbamodithioic acid
Also Known As: benzylcarbamodithioic acid, N-benzyldithiocarbamic acid, N-Benzylthioformamide, benzyldithiocarbamic acid, Carbamodithioic acid, (phenylmethyl)-
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 1.9909 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 233.1072 |
Chemical Identifiers
| CAS Number | 15867-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)S |
Product Overview
Benzyldithiocarbamic acid (CAS 15867-06-8), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: benzylcarbamodithioic acid.
Chemical Property Profile of Benzyldithiocarbamic acid
Property Insights of Benzyldithiocarbamic acid
The XLogP value of 1.9909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyldithiocarbamic acid. With a topological polar surface area (TPSA) of 12.03 Ų, Benzyldithiocarbamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyldithiocarbamic acid has 2 hydrogen bond donor(s) and 1 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 Benzyldithiocarbamic acid?
The CAS number of Benzyldithiocarbamic acid is 15867-06-8.
What is the molecular formula of Benzyldithiocarbamic acid?
The molecular formula of Benzyldithiocarbamic acid is C8H9NS2.
What is the molecular weight of Benzyldithiocarbamic acid?
The molecular weight of Benzyldithiocarbamic acid is 183.02 g/mol.
Where can I buy Benzyldithiocarbamic acid?
You can request a quote for Benzyldithiocarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyldithiocarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyldithiocarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.