1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide
TL;DR: 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide (CAS 16553-00-7) is a chemical compound with molecular formula C13H18N4S and molecular weight 262.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-pyridin-2-ylmethylideneamino]azepane-1-carbothioamide
Also Known As: 1H-AZEPINE-1-THIOCARBOXYLIC ACID, HEXAHYDRO-, (2-PYRIDYLMETHYLENE)HYDRAZIDE, Hexahydro-1H-azepine-1-thiocarboxylic acid (2-pyridylmethylene)hydrazide, N'-(2-Pyridinylmethylene)-1-azepanecarbothiohydrazide, N-[(E)-2-pyridylmethyleneamino]azepane-1-carbothioamide, N-{[(pyridin-2-yl)methylidene]amino}azepane-1-carbothioamide
Technical Specifications
| Molecular Formula | C13H18N4S |
| Molecular Weight | 262.1252 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1252 Da |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
| SMILES | C1CCCN(CC1)C(=S)N/N=C/C2=CC=CC=N2 |
| InChIKey | YELXJUBURDMCLZ-RVDMUPIBSA-N |
Chemical Property Profile of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide
Property Insights of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide. Following Lipinski's Rule of Five, 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide 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
What is the CAS number of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide?
The CAS number of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide is 16553-00-7.
What is the molecular formula of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide?
The molecular formula of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide is C13H18N4S.
What is the molecular weight of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide?
The molecular weight of 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide is 262.1252 g/mol.
Where can I buy 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide?
You can request a quote for 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide?
Yes, CoreyChem provides custom synthesis services for 1H-Azepine-1-thiocarboxylic acid, hexahydro-, (2-pyridylmethylene)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.