Carbamodithioic acid, bis(1-methylethyl)-, propyl ester
TL;DR: Carbamodithioic acid, bis(1-methylethyl)-, propyl ester (CAS 20311-36-8) is a chemical compound with molecular formula C10H21NS2 and molecular weight 219.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N,N-di(propan-2-yl)carbamodithioate
Also Known As: Propyl bis(1-methylethyl)carbamodithioate, S-Propyl-N,N-diisopropyldithiocarbamate, Propyl di(propan-2-yl)carbamodithioate, Carbamodithioic acid, bis(1-methylethyl)-, propyl ester, propyl N,N-di(propan-2-yl)carbamodithioate
| Molecular Formula | C10H21NS2 |
|---|---|
| Molecular Weight | 219.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.11154 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 20311-36-8 |
|---|---|
| SMILES | CCCSC(=S)N(C(C)C)C(C)C |
| InChIKey | LXQUMCXOBIGJCG-UHFFFAOYSA-N |
Product Overview
Carbamodithioic acid, bis(1-methylethyl)-, propyl ester (CAS 20311-36-8), with molecular formula C10H21NS2 and molecular weight 219.11 g/mol. IUPAC: propyl N,N-di(propan-2-yl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, bis(1-methylethyl)-, propyl ester
Property Insights of Carbamodithioic acid, bis(1-methylethyl)-, propyl ester
The XLogP value of 3.8 indicates that Carbamodithioic acid, bis(1-methylethyl)-, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, bis(1-methylethyl)-, propyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, bis(1-methylethyl)-, propyl ester has 0 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 Carbamodithioic acid, bis(1-methylethyl)-, propyl ester?
The CAS number of Carbamodithioic acid, bis(1-methylethyl)-, propyl ester is 20311-36-8.
What is the molecular formula of Carbamodithioic acid, bis(1-methylethyl)-, propyl ester?
The molecular formula of Carbamodithioic acid, bis(1-methylethyl)-, propyl ester is C10H21NS2.
What is the molecular weight of Carbamodithioic acid, bis(1-methylethyl)-, propyl ester?
The molecular weight of Carbamodithioic acid, bis(1-methylethyl)-, propyl ester is 219.11 g/mol.
Where can I buy Carbamodithioic acid, bis(1-methylethyl)-, propyl ester?
You can request a quote for Carbamodithioic acid, bis(1-methylethyl)-, propyl 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, bis(1-methylethyl)-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, bis(1-methylethyl)-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.