2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-
TL;DR: 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- (CAS 54028-79-4) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione
Also Known As: 3-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione, 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-, 2H-1,5-Benzodiazepine-2-thione,1,3,4,5-tetrahydro-3-methyl, 3-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione, 3-methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepine-2-thione
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 2.4875 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 335.45157 |
Chemical Identifiers
| CAS Number | 54028-79-4 |
|---|---|
| SMILES | CC1CNC2=CC=CC=C2NC1=S |
Product Overview
2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- (CAS 54028-79-4), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 3-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-thione.
Chemical Property Profile of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-
Property Insights of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-
The XLogP value of 2.4875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-. With a topological polar surface area (TPSA) of 24.06 Ų, 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- 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 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-?
The CAS number of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- is 54028-79-4.
What is the molecular formula of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-?
The molecular formula of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- is C10H12N2S.
What is the molecular weight of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-?
The molecular weight of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- is 192.07 g/mol.
Where can I buy 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-?
You can request a quote for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.