2-Benzothiazolyl diethyldithiocarbamate
TL;DR: 2-Benzothiazolyl diethyldithiocarbamate (CAS 95-30-7) is a chemical compound with molecular formula C12H14N2S3 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate
Also Known As: Ethylac, 2-Benzothiazolyl diethyldithiocarbamate, ACCELERATOR E, Diethyldithiocarbamic acid 2-benzothiazolyl ester, Benzothiazol-2-yl diethyldithiocarbamate
| Molecular Formula | C12H14N2S3 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.03192 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 95-30-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1=NC2=CC=CC=C2S1 |
| InChIKey | LFMQNMXVVXHZCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzothiazolyl diethyldithiocarbamate (CAS 95-30-7), with molecular formula C12H14N2S3 and molecular weight 282.03 g/mol. IUPAC: 1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-Benzothiazolyl diethyldithiocarbamate
Property Insights of 2-Benzothiazolyl diethyldithiocarbamate
The XLogP value of 4.2 indicates that 2-Benzothiazolyl diethyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolyl diethyldithiocarbamate. Following Lipinski's Rule of Five, 2-Benzothiazolyl diethyldithiocarbamate has 0 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 2-Benzothiazolyl diethyldithiocarbamate?
The CAS number of 2-Benzothiazolyl diethyldithiocarbamate is 95-30-7.
What is the molecular formula of 2-Benzothiazolyl diethyldithiocarbamate?
The molecular formula of 2-Benzothiazolyl diethyldithiocarbamate is C12H14N2S3.
What is the molecular weight of 2-Benzothiazolyl diethyldithiocarbamate?
The molecular weight of 2-Benzothiazolyl diethyldithiocarbamate is 282.03 g/mol.
Where can I buy 2-Benzothiazolyl diethyldithiocarbamate?
You can request a quote for 2-Benzothiazolyl diethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolyl diethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolyl diethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.