1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-
TL;DR: 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- (CAS 29053-32-5) is a chemical compound with molecular formula C9H18N2S2 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-yl-1,4-diazepane-1-carbodithioic acid
Also Known As: 4-Isopropyl-1-homopiperazinedithiocarboxylic acid, 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-, 4-propan-2-yl-1,4-diazepane-1-carbodithioic acid, Hexahydro-4-isopropyl-1H-1,4-diazepine-1-carbodithioic acid, 4-(Propan-2-yl)-1,4-diazepane-1-carbodithioic acid
| Molecular Formula | C9H18N2S2 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.09114 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 29053-32-5 |
|---|---|
| SMILES | CC(C)N1CCCN(CC1)C(=S)S |
| InChIKey | WWBSVJOZUHDUAG-UHFFFAOYSA-N |
Product Overview
1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- (CAS 29053-32-5), with molecular formula C9H18N2S2 and molecular weight 218.09 g/mol. IUPAC: 4-propan-2-yl-1,4-diazepane-1-carbodithioic acid.
Chemical Property Profile of 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-
Property Insights of 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-. With a topological polar surface area (TPSA) of 39.6 Ų, 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- has 1 hydrogen bond donor(s) and 3 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-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-?
The CAS number of 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- is 29053-32-5.
What is the molecular formula of 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-?
The molecular formula of 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- is C9H18N2S2.
What is the molecular weight of 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-?
The molecular weight of 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- is 218.09 g/mol.
Where can I buy 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-?
You can request a quote for 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Diazepine-1-carbodithioic acid, hexahydro-4-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.