N,N-dimethyl-1,3-dithiane-2-carboxamide
TL;DR: N,N-dimethyl-1,3-dithiane-2-carboxamide (CAS 51102-76-2) is a chemical compound with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1,3-dithiane-2-carboxamide
Also Known As: N,N-dimethyl-1,3-dithiane-2-carboxamide, 1,3-dithiane-2-carboxamide, N,N-dimethyl-, RefChem:359158, InChI=1/C7H13NOS2/c1-8(2)6(9)7-10-4-3-5-11-7/h7H,3-5H2,1-2H
| Molecular Formula | C7H13NOS2 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.04385 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 51102-76-2 |
|---|---|
| SMILES | CN(C)C(=O)C1SCCCS1 |
| InChIKey | ZLAMXDKMCOWUPV-UHFFFAOYSA-N |
Product Overview
N,N-dimethyl-1,3-dithiane-2-carboxamide (CAS 51102-76-2), with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol. IUPAC: N,N-dimethyl-1,3-dithiane-2-carboxamide.
Chemical Property Profile of N,N-dimethyl-1,3-dithiane-2-carboxamide
Property Insights of N,N-dimethyl-1,3-dithiane-2-carboxamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-1,3-dithiane-2-carboxamide. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-1,3-dithiane-2-carboxamide. Following Lipinski's Rule of Five, N,N-dimethyl-1,3-dithiane-2-carboxamide 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 N,N-dimethyl-1,3-dithiane-2-carboxamide?
The CAS number of N,N-dimethyl-1,3-dithiane-2-carboxamide is 51102-76-2.
What is the molecular formula of N,N-dimethyl-1,3-dithiane-2-carboxamide?
The molecular formula of N,N-dimethyl-1,3-dithiane-2-carboxamide is C7H13NOS2.
What is the molecular weight of N,N-dimethyl-1,3-dithiane-2-carboxamide?
The molecular weight of N,N-dimethyl-1,3-dithiane-2-carboxamide is 191.04 g/mol.
Where can I buy N,N-dimethyl-1,3-dithiane-2-carboxamide?
You can request a quote for N,N-dimethyl-1,3-dithiane-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-1,3-dithiane-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-1,3-dithiane-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.