1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
TL;DR: 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate (CAS 69243-63-6) is a chemical compound with molecular formula C15H11Cl2NO2S2 and molecular weight 370.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
Also Known As: Carbamodithioic acid der., 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate, 1,3-Benzodioxol-5-ylmethyl (3,4-dichlorophenyl)dithiocarbamate, (2H-1,3-Benzodioxol-5-yl)methyl (3,4-dichlorophenyl)carbamodithioate, Carbamodithioic acid,4-dichlorophenyl)-, 1,3-benzodioxol-5-ylmethyl ester
| Molecular Formula | C15H11Cl2NO2S2 |
|---|---|
| Molecular Weight | 370.96 g/mol |
| LogP | 5.3523 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.96082 |
| Heavy Atoms | 22 |
| Complexity | 724.6838 |
Chemical Identifiers
| CAS Number | 69243-63-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CSC(=S)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate (CAS 69243-63-6), with molecular formula C15H11Cl2NO2S2 and molecular weight 370.96 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate.
Chemical Property Profile of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
Property Insights of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
The XLogP value of 5.3523 indicates that 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate?
The CAS number of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate is 69243-63-6.
What is the molecular formula of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate?
The molecular formula of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate is C15H11Cl2NO2S2.
What is the molecular weight of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate?
The molecular weight of 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate is 370.96 g/mol.
Where can I buy 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate?
You can request a quote for 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-benzodioxol-5-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.