2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine
TL;DR: 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine (CAS 3358-41-6) is a chemical compound with molecular formula C6H12N2S and molecular weight 144.07 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
Also Known As: 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine, 2-methylthio-1,3-diaza-1-cycloheptene, 2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine, 2-Methylthio-4,5,6,7-tetrahydro-1h-[1,3]diazepine, 4,5,6,7-tetrahydro-2-methylthio-1H-1,3-diazepine
| Molecular Formula | C6H12N2S |
|---|---|
| Molecular Weight | 144.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07211 |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 3358-41-6 |
|---|---|
| SMILES | CSC1=NCCCCN1 |
| InChIKey | APZLFZUMHUZNIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine (CAS 3358-41-6), with molecular formula C6H12N2S and molecular weight 144.07 g/mol. IUPAC: 2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine.
Chemical Property Profile of 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine
Property Insights of 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine. With a topological polar surface area (TPSA) of 49.7 Ų, 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine 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 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The CAS number of 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine is 3358-41-6.
What is the molecular formula of 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The molecular formula of 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine is C6H12N2S.
What is the molecular weight of 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The molecular weight of 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine is 144.07 g/mol.
Where can I buy 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine?
You can request a quote for 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.