4-Cyanobutyl dimethylcarbamodithioate
TL;DR: 4-Cyanobutyl dimethylcarbamodithioate (CAS 878075-66-2) is a chemical compound with molecular formula C8H14N2S2 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyanobutyl N,N-dimethylcarbamodithioate
Also Known As: 4-Cyanobutyl dimethylcarbamodithioate, 4-cyanobutyl N,N-dimethylcarbamodithioate, AB01324194-02
| Molecular Formula | C8H14N2S2 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.25998 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.05984 |
| Heavy Atoms | 12 |
| Complexity | 172.3869 |
Chemical Identifiers
| CAS Number | 878075-66-2 |
|---|---|
| SMILES | CN(C)C(=S)SCCCCC#N |
Product Overview
4-Cyanobutyl dimethylcarbamodithioate (CAS 878075-66-2), with molecular formula C8H14N2S2 and molecular weight 202.06 g/mol. IUPAC: 4-cyanobutyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of 4-Cyanobutyl dimethylcarbamodithioate
Property Insights of 4-Cyanobutyl dimethylcarbamodithioate
The XLogP value of 2.25998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobutyl dimethylcarbamodithioate. With a topological polar surface area (TPSA) of 27.03 Ų, 4-Cyanobutyl dimethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobutyl dimethylcarbamodithioate has 0 hydrogen bond donor(s) and 3 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 4-Cyanobutyl dimethylcarbamodithioate?
The CAS number of 4-Cyanobutyl dimethylcarbamodithioate is 878075-66-2.
What is the molecular formula of 4-Cyanobutyl dimethylcarbamodithioate?
The molecular formula of 4-Cyanobutyl dimethylcarbamodithioate is C8H14N2S2.
What is the molecular weight of 4-Cyanobutyl dimethylcarbamodithioate?
The molecular weight of 4-Cyanobutyl dimethylcarbamodithioate is 202.06 g/mol.
Where can I buy 4-Cyanobutyl dimethylcarbamodithioate?
You can request a quote for 4-Cyanobutyl dimethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobutyl dimethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobutyl dimethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.