Cyclohexyldithiocarbamate
TL;DR: Cyclohexyldithiocarbamate (CAS 51300-97-1) is a chemical compound with molecular formula C10H17NO2S2 and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexylcarbamothioylsulfanylmethyl acetate
Also Known As: Cyclohexyldithiocarbamate, cyclohexylcarbamothioylsulfanylmethyl acetate, [(Cyclohexylcarbamothioyl)sulfanyl]methyl acetate, Carbamodithioic acid, cyclohexyl-, (acetyloxy)methyl ester, RefChem:129714
| Molecular Formula | C10H17NO2S2 |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.4474 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07007 |
| Heavy Atoms | 15 |
| Complexity | 227.46228 |
Chemical Identifiers
| CAS Number | 51300-97-1 |
|---|---|
| SMILES | CC(=O)OCSC(=S)NC1CCCCC1 |
Product Overview
Cyclohexyldithiocarbamate (CAS 51300-97-1), with molecular formula C10H17NO2S2 and molecular weight 247.07 g/mol. IUPAC: cyclohexylcarbamothioylsulfanylmethyl acetate.
Chemical Property Profile of Cyclohexyldithiocarbamate
Property Insights of Cyclohexyldithiocarbamate
The XLogP value of 2.4474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyldithiocarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Cyclohexyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyldithiocarbamate has 1 hydrogen bond donor(s) and 4 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 Cyclohexyldithiocarbamate?
The CAS number of Cyclohexyldithiocarbamate is 51300-97-1.
What is the molecular formula of Cyclohexyldithiocarbamate?
The molecular formula of Cyclohexyldithiocarbamate is C10H17NO2S2.
What is the molecular weight of Cyclohexyldithiocarbamate?
The molecular weight of Cyclohexyldithiocarbamate is 247.07 g/mol.
Where can I buy Cyclohexyldithiocarbamate?
You can request a quote for Cyclohexyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.