(4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine
TL;DR: (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine (CAS 1119391-81-9) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4,4-dimethyl-2,6-dioxocyclohexyl) carbamimidothioate
Also Known As: (4,4-dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine, (4,4-dimethyl-2,6-dioxocyclohexyl) carbamimidothioate, [(4,4-dimethyl-2,6-dioxocyclohexyl)sulfanyl]methanimidamide, 2-(4,4-dimethyl-2,6-dioxo-cyclohexyl)isothiourea, (4,4-dimethyl-2,6-dioxo-cyclohexyl)sulfanylmethanimidamide
Technical Specifications
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.0776 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.0776 Da |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
| SMILES | CC1(CC(=O)C(C(=O)C1)SC(=N)N)C |
| InChIKey | CPEBLKYJQDDZOR-UHFFFAOYSA-N |
Chemical Property Profile of (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine
Property Insights of (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine. Following Lipinski's Rule of Five, (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine 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 (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine?
The CAS number of (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine is 1119391-81-9.
What is the molecular formula of (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine?
The molecular formula of (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine is C9H14N2O2S.
What is the molecular weight of (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine?
The molecular weight of (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine is 214.0776 g/mol.
Where can I buy (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine?
You can request a quote for (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine?
Yes, CoreyChem provides custom synthesis services for (4,4-Dimethyl-2,6-dioxocyclohexyl)thiocarboxamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.