二环己基二硫代氨基甲酸盐
TL;DR: 二环己基二硫代氨基甲酸盐 (CAS 4493-33-8) is a chemical compound with molecular formula C13H23NS2 and molecular weight 257.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二环己基二硫代氨基甲酸盐
dicyclohexylcarbamodithioic acid
Also Known As: Dicyclohexyldithiocarbamate, dicyclohexylcarbamodithioic acid, dicyclohexyldithiocarbamic acid, Carbamodithioic acid, dicyclohexyl-, N,N-Dicyclohexyldithiocarbamic acid
| Molecular Formula | C13H23NS2 |
|---|---|
| Molecular Weight | 257.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.1272 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 4493-33-8 |
|---|---|
| SMILES | C1CCC(CC1)N(C2CCCCC2)C(=S)S |
| InChIKey | PEEFBAYDEKJSPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二环己基二硫代氨基甲酸盐 (CAS 4493-33-8), with molecular formula C13H23NS2 and molecular weight 257.13 g/mol. IUPAC: dicyclohexylcarbamodithioic acid.
Chemical Property Profile of 二环己基二硫代氨基甲酸盐
Property Insights of 二环己基二硫代氨基甲酸盐
The XLogP value of 4.5 indicates that 二环己基二硫代氨基甲酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 二环己基二硫代氨基甲酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二环己基二硫代氨基甲酸盐 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 二环己基二硫代氨基甲酸盐?
The CAS number of 二环己基二硫代氨基甲酸盐 is 4493-33-8.
What is the molecular formula of 二环己基二硫代氨基甲酸盐?
The molecular formula of 二环己基二硫代氨基甲酸盐 is C13H23NS2.
What is the molecular weight of 二环己基二硫代氨基甲酸盐?
The molecular weight of 二环己基二硫代氨基甲酸盐 is 257.13 g/mol.
Where can I buy 二环己基二硫代氨基甲酸盐?
You can request a quote for 二环己基二硫代氨基甲酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二环己基二硫代氨基甲酸盐?
Yes, KEHONG BIO provides custom synthesis services for 二环己基二硫代氨基甲酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.