7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-
TL;DR: 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- (CAS 68391-28-6) is a chemical compound with molecular formula C10H18S and molecular weight 170.11292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-propan-2-yl-7-thiabicyclo[2.2.1]heptane
Also Known As: Thiocineole, 1,8-Thiocineol, 4-Isopropyl-1-methyl-7-thiabicyclo(2.2.1)heptane, 4-isopropyl-1-methyl-7-thiabicyclo[2.2.1]heptane, 7-Thiabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-
Technical Specifications
| Molecular Formula | C10H18S |
| Molecular Weight | 170.11292 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.11292 Da |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
| SMILES | CC(C)C12CCC(S1)(CC2)C |
| InChIKey | PUQONFDEJWVBAS-UHFFFAOYSA-N |
Chemical Property Profile of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-
Property Insights of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-
The XLogP value of 3.3 indicates that 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- 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
What is the CAS number of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-?
The CAS number of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- is 68391-28-6.
What is the molecular formula of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-?
The molecular formula of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- is C10H18S.
What is the molecular weight of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-?
The molecular weight of 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- is 170.11292 g/mol.
Where can I buy 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-?
You can request a quote for 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-?
Yes, CoreyChem provides custom synthesis services for 7-Thiabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.