Ethyl butyldithiocarbamate
TL;DR: Ethyl butyldithiocarbamate (CAS 56134-96-4) is a chemical compound with molecular formula C7H15NS2 and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-butylcarbamodithioate
Also Known As: Ethyl butyldithiocarbamate, Ethyl butylcarbamodithioate, n-butyl dithiourethan, ethyl N-butylcarbamodithioate, ethylbutyldithiocarbamate
| Molecular Formula | C7H15NS2 |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.4141 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.06459 |
| Heavy Atoms | 10 |
| Complexity | 93.606895 |
Chemical Identifiers
| CAS Number | 56134-96-4 |
|---|---|
| SMILES | CCCCNC(=S)SCC |
Product Overview
Ethyl butyldithiocarbamate (CAS 56134-96-4), with molecular formula C7H15NS2 and molecular weight 177.06 g/mol. IUPAC: ethyl N-butylcarbamodithioate.
Chemical Property Profile of Ethyl butyldithiocarbamate
Property Insights of Ethyl butyldithiocarbamate
The XLogP value of 2.4141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl butyldithiocarbamate. With a topological polar surface area (TPSA) of 12.03 Ų, Ethyl butyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl butyldithiocarbamate 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 Ethyl butyldithiocarbamate?
The CAS number of Ethyl butyldithiocarbamate is 56134-96-4.
What is the molecular formula of Ethyl butyldithiocarbamate?
The molecular formula of Ethyl butyldithiocarbamate is C7H15NS2.
What is the molecular weight of Ethyl butyldithiocarbamate?
The molecular weight of Ethyl butyldithiocarbamate is 177.06 g/mol.
Where can I buy Ethyl butyldithiocarbamate?
You can request a quote for Ethyl butyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl butyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl butyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.