Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester
TL;DR: Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester (CAS 63505-34-0) is a chemical compound with molecular formula C12H22N2S2 and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl N,N-dibutylcarbamodithioate
Also Known As: 2-Cyanoethyl dibutyldithiocarbamate, 2-cyanoethyl dibutylcarbamodithioate, methyl 2-bromotetradec-13-enoate, S-2-Cyanoethyl N,N-di-n-butyldithiocarbamate, 2-cyanoethyl N,N-dibutylcarbamodithioate
| Molecular Formula | C12H22N2S2 |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 258.12244 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 63505-34-0 |
|---|---|
| SMILES | CCCCN(CCCC)C(=S)SCCC#N |
| InChIKey | POKOHLZMQPCOHD-UHFFFAOYSA-N |
Product Overview
Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester (CAS 63505-34-0), with molecular formula C12H22N2S2 and molecular weight 258.12 g/mol. IUPAC: 2-cyanoethyl N,N-dibutylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester
Property Insights of Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester
The XLogP value of 3.5 indicates that Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester 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 Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester?
The CAS number of Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester is 63505-34-0.
What is the molecular formula of Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester?
The molecular formula of Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester is C12H22N2S2.
What is the molecular weight of Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester?
The molecular weight of Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester is 258.12 g/mol.
Where can I buy Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester?
You can request a quote for Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.