2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-
TL;DR: 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro- (CAS 123229-10-7) is a chemical compound with molecular formula C10H11N3O2S and molecular weight 237.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-7-nitro-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
Also Known As: 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-, 4-methyl-7-nitro-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione, 4-methyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione, 4-mercapto-2-methyl-8-nitro-2,3-dihydro-1h-1,5-benzodiazepine, 4-methyl-7-nitro-2,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
Technical Specifications
| Molecular Formula | C10H11N3O2S |
| Molecular Weight | 237.0572 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.0572 Da |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
| SMILES | CC1CC(=S)NC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | USSSHDKHVXEBQA-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-
Property Insights of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-. Following Lipinski's Rule of Five, 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-?
The CAS number of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro- is 123229-10-7.
What is the molecular formula of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-?
The molecular formula of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro- is C10H11N3O2S.
What is the molecular weight of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-?
The molecular weight of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro- is 237.0572 g/mol.
Where can I buy 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-?
You can request a quote for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-?
Yes, CoreyChem provides custom synthesis services for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.