1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide
TL;DR: 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide (CAS 3358-42-7) is a chemical compound with molecular formula C6H13IN2S and molecular weight 271.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine;hydroiodide
Also Known As: 4,5,6,7-Tetrahydro-2-(methylthio)-1H-1,3-diazepine hydriodide, 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide, 2-(Methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine hydriodide, 2-Methylmercapto-delta(sup 2)-1,3-diazacycloheptane hydroiodide, 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine hydroiodide
| Molecular Formula | C6H13IN2S |
|---|---|
| Molecular Weight | 271.98 g/mol |
| LogP | 1.7068 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.9844 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 3358-42-7 |
|---|---|
| SMILES | CSC1=NCCCCN1.I |
| InChIKey | ZXRLJUNOKBUKHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide (CAS 3358-42-7), with molecular formula C6H13IN2S and molecular weight 271.98 g/mol. IUPAC: 2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine;hydroiodide.
Chemical Property Profile of 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide
Property Insights of 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide
The XLogP value of 1.7068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide. With a topological polar surface area (TPSA) of 49.7 Ų, 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide has 2 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 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide?
The CAS number of 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide is 3358-42-7.
What is the molecular formula of 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide?
The molecular formula of 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide is C6H13IN2S.
What is the molecular weight of 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide?
The molecular weight of 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide is 271.98 g/mol.
Where can I buy 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide?
You can request a quote for 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3-Diazepine, 4,5,6,7-tetrahydro-2-methylthio-, hydriodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.