2-Cyclohexene-1-thione, 3,5,5-trimethyl-
TL;DR: 2-Cyclohexene-1-thione, 3,5,5-trimethyl- (CAS 30221-55-7) is a chemical compound with molecular formula C9H14S and molecular weight 154.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylcyclohex-2-ene-1-thione
Also Known As: 2-Cyclohexene-1-thione, 3,5,5-trimethyl-, 3,5,5-Trimethyl-2-cyclohexenethione, 3,5,5-trimethylcyclohex-2-ene-1-thione, 1,5,5-Trimethylcyclohexene-3-thione, 3,5,5-trimethylcyclohex-2-enethione
| Molecular Formula | C9H14S |
|---|---|
| Molecular Weight | 154.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.08162 |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 30221-55-7 |
|---|---|
| SMILES | CC1=CC(=S)CC(C1)(C)C |
| InChIKey | HSIJIQCRRNEKDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexene-1-thione, 3,5,5-trimethyl- (CAS 30221-55-7), with molecular formula C9H14S and molecular weight 154.08 g/mol. IUPAC: 3,5,5-trimethylcyclohex-2-ene-1-thione.
Chemical Property Profile of 2-Cyclohexene-1-thione, 3,5,5-trimethyl-
Property Insights of 2-Cyclohexene-1-thione, 3,5,5-trimethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexene-1-thione, 3,5,5-trimethyl-. With a topological polar surface area (TPSA) of 32.1 Ų, 2-Cyclohexene-1-thione, 3,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexene-1-thione, 3,5,5-trimethyl- has 0 hydrogen bond donor(s) and 1 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 2-Cyclohexene-1-thione, 3,5,5-trimethyl-?
The CAS number of 2-Cyclohexene-1-thione, 3,5,5-trimethyl- is 30221-55-7.
What is the molecular formula of 2-Cyclohexene-1-thione, 3,5,5-trimethyl-?
The molecular formula of 2-Cyclohexene-1-thione, 3,5,5-trimethyl- is C9H14S.
What is the molecular weight of 2-Cyclohexene-1-thione, 3,5,5-trimethyl-?
The molecular weight of 2-Cyclohexene-1-thione, 3,5,5-trimethyl- is 154.08 g/mol.
Where can I buy 2-Cyclohexene-1-thione, 3,5,5-trimethyl-?
You can request a quote for 2-Cyclohexene-1-thione, 3,5,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexene-1-thione, 3,5,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexene-1-thione, 3,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.