Hexyl carbamodithioate
TL;DR: Hexyl carbamodithioate (CAS 6326-16-5) 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.
hexyl carbamodithioate
Also Known As: hexyl carbamodithioate, n-hexyl dithiocarbamate, RefChem:347779
| Molecular Formula | C7H15NS2 |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 2.5435 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.06459 |
| Heavy Atoms | 10 |
| Complexity | 93.606895 |
Chemical Identifiers
| CAS Number | 6326-16-5 |
|---|---|
| SMILES | CCCCCCSC(=S)N |
Product Overview
Hexyl carbamodithioate (CAS 6326-16-5), with molecular formula C7H15NS2 and molecular weight 177.06 g/mol. IUPAC: hexyl carbamodithioate.
Chemical Property Profile of Hexyl carbamodithioate
Property Insights of Hexyl carbamodithioate
The XLogP value of 2.5435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl carbamodithioate. With a topological polar surface area (TPSA) of 26.02 Ų, Hexyl carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl carbamodithioate?
The CAS number of Hexyl carbamodithioate is 6326-16-5.
What is the molecular formula of Hexyl carbamodithioate?
The molecular formula of Hexyl carbamodithioate is C7H15NS2.
What is the molecular weight of Hexyl carbamodithioate?
The molecular weight of Hexyl carbamodithioate is 177.06 g/mol.
Where can I buy Hexyl carbamodithioate?
You can request a quote for Hexyl carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.