Dodecyl carbamodithioate
TL;DR: Dodecyl carbamodithioate (CAS 77375-20-3) is a chemical compound with molecular formula C13H27NS2 and molecular weight 261.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl carbamodithioate
Also Known As: dodecyl carbamodithioate, dodecyl dithiocarbamate, Carbamodithioic acid, dodecyl ester, RefChem:339505
| Molecular Formula | C13H27NS2 |
|---|---|
| Molecular Weight | 261.16 g/mol |
| LogP | 4.8841 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 261.15848 |
| Heavy Atoms | 16 |
| Complexity | 160.01158 |
Chemical Identifiers
| CAS Number | 77375-20-3 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=S)N |
Product Overview
Dodecyl carbamodithioate (CAS 77375-20-3), with molecular formula C13H27NS2 and molecular weight 261.16 g/mol. IUPAC: dodecyl carbamodithioate.
Chemical Property Profile of Dodecyl carbamodithioate
Property Insights of Dodecyl carbamodithioate
The XLogP value of 4.8841 indicates that Dodecyl carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, Dodecyl carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 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 Dodecyl carbamodithioate?
The CAS number of Dodecyl carbamodithioate is 77375-20-3.
What is the molecular formula of Dodecyl carbamodithioate?
The molecular formula of Dodecyl carbamodithioate is C13H27NS2.
What is the molecular weight of Dodecyl carbamodithioate?
The molecular weight of Dodecyl carbamodithioate is 261.16 g/mol.
Where can I buy Dodecyl carbamodithioate?
You can request a quote for Dodecyl carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.