Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-
TL;DR: Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- (CAS 13196-41-3) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2,6-dioxo-N-phenylcyclohexane-1-carbothioamide
Also Known As: ChemDiv3_004943, Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-, IDI1_022853, 4,4-dimethyl-2,6-dioxo-N-phenylcyclohexane-1-carbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenylcyclohexanecarbothioamide
| Molecular Formula | C15H17NO2S |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.098 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 13196-41-3 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(=S)NC2=CC=CC=C2)C |
| InChIKey | UZHVEOGUFUNMHG-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- (CAS 13196-41-3), with molecular formula C15H17NO2S and molecular weight 275.10 g/mol. IUPAC: 4,4-dimethyl-2,6-dioxo-N-phenylcyclohexane-1-carbothioamide.
Chemical Property Profile of Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-
Property Insights of Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-. Following Lipinski's Rule of Five, Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- 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 Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-?
The CAS number of Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- is 13196-41-3.
What is the molecular formula of Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-?
The molecular formula of Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- is C15H17NO2S.
What is the molecular weight of Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-?
The molecular weight of Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- is 275.10 g/mol.
Where can I buy Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-?
You can request a quote for Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.