1H-Azepine-1-carbothioic acid, hexahydro-
TL;DR: 1H-Azepine-1-carbothioic acid, hexahydro- (CAS 66747-13-5) is a chemical compound with molecular formula C7H13NOS and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepane-1-carbothioic S-acid
Also Known As: azepane-1-carbothioic S-acid, MOLINATE-ACID, Hexahydro-1H-azepine-1-carbothioic acid, 1H-Azepine-1-carbothioic acid, hexahydro-, hexahydroazepine-1-thiocarboxylic
| Molecular Formula | C7H13NOS |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.9122 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.0718 |
| Heavy Atoms | 10 |
| Complexity | 118.77451 |
Chemical Identifiers
| CAS Number | 66747-13-5 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)S |
Product Overview
1H-Azepine-1-carbothioic acid, hexahydro- (CAS 66747-13-5), with molecular formula C7H13NOS and molecular weight 159.07 g/mol. IUPAC: azepane-1-carbothioic S-acid.
Chemical Property Profile of 1H-Azepine-1-carbothioic acid, hexahydro-
Property Insights of 1H-Azepine-1-carbothioic acid, hexahydro-
The XLogP value of 1.9122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine-1-carbothioic acid, hexahydro-. With a topological polar surface area (TPSA) of 20.31 Ų, 1H-Azepine-1-carbothioic acid, hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine-1-carbothioic acid, hexahydro- has 1 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 1H-Azepine-1-carbothioic acid, hexahydro-?
The CAS number of 1H-Azepine-1-carbothioic acid, hexahydro- is 66747-13-5.
What is the molecular formula of 1H-Azepine-1-carbothioic acid, hexahydro-?
The molecular formula of 1H-Azepine-1-carbothioic acid, hexahydro- is C7H13NOS.
What is the molecular weight of 1H-Azepine-1-carbothioic acid, hexahydro-?
The molecular weight of 1H-Azepine-1-carbothioic acid, hexahydro- is 159.07 g/mol.
Where can I buy 1H-Azepine-1-carbothioic acid, hexahydro-?
You can request a quote for 1H-Azepine-1-carbothioic acid, hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine-1-carbothioic acid, hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine-1-carbothioic acid, hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.