邻巯基-N,N-二甲基苯甲酰胺
TL;DR: 邻巯基-N,N-二甲基苯甲酰胺 (CAS 20877-02-5) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻巯基-N,N-二甲基苯甲酰胺
N,N-dimethyl-2-sulfanylbenzamide
Also Known As: n,n-dimethyl-2-sulfanylbenzamide, 2-mercapto-n,n-dimethylbenzamide, o-Mercapto-N,N-dimethylbenzamide, Axitinib Impurity 64, 2-thio-n,n-dimethylbenzamide
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 20877-02-5 |
|---|---|
| SMILES | CN(C)C(=O)C1=CC=CC=C1S |
| InChIKey | FXRWSGAWEVMMJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻巯基-N,N-二甲基苯甲酰胺 (CAS 20877-02-5), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: N,N-dimethyl-2-sulfanylbenzamide.
Chemical Property Profile of 邻巯基-N,N-二甲基苯甲酰胺
Property Insights of 邻巯基-N,N-二甲基苯甲酰胺
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻巯基-N,N-二甲基苯甲酰胺. With a topological polar surface area (TPSA) of 21.3 Ų, 邻巯基-N,N-二甲基苯甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻巯基-N,N-二甲基苯甲酰胺 has 1 hydrogen bond donor(s) and 2 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 邻巯基-N,N-二甲基苯甲酰胺?
The CAS number of 邻巯基-N,N-二甲基苯甲酰胺 is 20877-02-5.
What is the molecular formula of 邻巯基-N,N-二甲基苯甲酰胺?
The molecular formula of 邻巯基-N,N-二甲基苯甲酰胺 is C9H11NOS.
What is the molecular weight of 邻巯基-N,N-二甲基苯甲酰胺?
The molecular weight of 邻巯基-N,N-二甲基苯甲酰胺 is 181.06 g/mol.
Where can I buy 邻巯基-N,N-二甲基苯甲酰胺?
You can request a quote for 邻巯基-N,N-二甲基苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻巯基-N,N-二甲基苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 邻巯基-N,N-二甲基苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.