(4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate
TL;DR: (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate (CAS 285986-69-8) is a chemical compound with molecular formula C11H14ClNOS2 and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate
Also Known As: (3-methoxypropyl)dithiocarbamic acid 4-chlorophenyl ester, (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate, BRD-K13225512-001-01-2, 1-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)methanethioamide
| Molecular Formula | C11H14ClNOS2 |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 3.3431 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.02054 |
| Heavy Atoms | 16 |
| Complexity | 329.26138 |
Chemical Identifiers
| CAS Number | 285986-69-8 |
|---|---|
| SMILES | COCCCNC(=S)SC1=CC=C(C=C1)Cl |
Product Overview
(4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate (CAS 285986-69-8), with molecular formula C11H14ClNOS2 and molecular weight 275.02 g/mol. IUPAC: (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate.
Chemical Property Profile of (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate
Property Insights of (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate
The XLogP value of 3.3431 indicates that (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate has 1 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 (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate?
The CAS number of (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate is 285986-69-8.
What is the molecular formula of (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate?
The molecular formula of (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate is C11H14ClNOS2.
What is the molecular weight of (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate?
The molecular weight of (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate is 275.02 g/mol.
Where can I buy (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate?
You can request a quote for (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-chlorophenyl) N-(3-methoxypropyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.