![thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate structure](/static/products/6318/6318-81-6.webp)
thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate
TL;DR: thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate (CAS 6318-81-6) is a chemical compound with molecular formula C14H14ClNS3 and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate
Also Known As: thiophen-2-ylmethyl(4-chlorobenzyl)methylcarbamodithioate, 2-Thienylmethyl (4-chlorobenzyl)methyldithiocarbamate, thiophen-2-ylmethyl (4-chlorobenzyl)(methyl)carbamodithioate, thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate, (Thiophen-2-yl)methyl [(4-chlorophenyl)methyl]methylcarbamodithioate
| Molecular Formula | C14H14ClNS3 |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.99768 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 6318-81-6 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)Cl)C(=S)SCC2=CC=CS2 |
| InChIKey | GEJOWBAKMWCQHS-UHFFFAOYSA-N |
Product Overview
thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate (CAS 6318-81-6), with molecular formula C14H14ClNS3 and molecular weight 327.00 g/mol. IUPAC: thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate.
Chemical Property Profile of thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate
Property Insights of thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate
The XLogP value of 4.6 indicates that thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate. Following Lipinski's Rule of Five, thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate 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 thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate?
The CAS number of thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate is 6318-81-6.
What is the molecular formula of thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate?
The molecular formula of thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate is C14H14ClNS3.
What is the molecular weight of thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate?
The molecular weight of thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate is 327.00 g/mol.
Where can I buy thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate?
You can request a quote for thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for thiophen-2-ylmethyl N-[(4-chlorophenyl)methyl]-N-methylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.