1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
TL;DR: 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione (CAS 19652-39-2) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione
Also Known As: tetrahydro-1,5-benzodiazepine-2-thione, 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione, 1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione, AN-153/12399141, 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-thione
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.2415 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 309.15176 |
Chemical Identifiers
| CAS Number | 19652-39-2 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2NC1=S |
Product Overview
1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione (CAS 19652-39-2), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione.
Chemical Property Profile of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
Property Insights of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
The XLogP value of 2.2415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione. With a topological polar surface area (TPSA) of 24.06 Ų, 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione 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 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione?
The CAS number of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione is 19652-39-2.
What is the molecular formula of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione?
The molecular formula of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione is C9H10N2S.
What is the molecular weight of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione?
The molecular weight of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione is 178.06 g/mol.
Where can I buy 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione?
You can request a quote for 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.