4-氯-N-甲基-N-苯基苯硫代甲酰胺
TL;DR: 4-氯-N-甲基-N-苯基苯硫代甲酰胺 (CAS 62266-82-4) is a chemical compound with molecular formula C14H12ClNS and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-N-甲基-N-苯基苯硫代甲酰胺
4-chloro-N-methyl-N-phenylbenzenecarbothioamide
Also Known As: 4-chloro-n-methyl-n-phenylbenzenecarbothioamide, 4-Chloro-N-methyl-N-phenylbenzene-1-carbothioamide
| Molecular Formula | C14H12ClNS |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0379 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 62266-82-4 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)C2=CC=C(C=C2)Cl |
| InChIKey | HWTUXNNUKSTKEC-UHFFFAOYSA-N |
Product Overview
4-氯-N-甲基-N-苯基苯硫代甲酰胺 (CAS 62266-82-4), with molecular formula C14H12ClNS and molecular weight 261.04 g/mol. IUPAC: 4-chloro-N-methyl-N-phenylbenzenecarbothioamide.
Chemical Property Profile of 4-氯-N-甲基-N-苯基苯硫代甲酰胺
Property Insights of 4-氯-N-甲基-N-苯基苯硫代甲酰胺
The XLogP value of 3.7 indicates that 4-氯-N-甲基-N-苯基苯硫代甲酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 4-氯-N-甲基-N-苯基苯硫代甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-N-甲基-N-苯基苯硫代甲酰胺 has 0 hydrogen bond donor(s) and 1 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-氯-N-甲基-N-苯基苯硫代甲酰胺?
The CAS number of 4-氯-N-甲基-N-苯基苯硫代甲酰胺 is 62266-82-4.
What is the molecular formula of 4-氯-N-甲基-N-苯基苯硫代甲酰胺?
The molecular formula of 4-氯-N-甲基-N-苯基苯硫代甲酰胺 is C14H12ClNS.
What is the molecular weight of 4-氯-N-甲基-N-苯基苯硫代甲酰胺?
The molecular weight of 4-氯-N-甲基-N-苯基苯硫代甲酰胺 is 261.04 g/mol.
Where can I buy 4-氯-N-甲基-N-苯基苯硫代甲酰胺?
You can request a quote for 4-氯-N-甲基-N-苯基苯硫代甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-N-甲基-N-苯基苯硫代甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-N-甲基-N-苯基苯硫代甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.