TL;DR: 2H-Thiopyran,3,4-dihydro-6-methyl- (CAS 13042-79-0) is a chemical compound with molecular formula C6H10S and molecular weight 114.05032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-3,4-dihydro-2H-thiopyran
Also Known As: 2H-Thiopyran,3,4-dihydro-6-methyl-, 6-methyl-3,4-dihydro-2H-thiopyran, 2,3-dihydro-6-methyl-4h-thiopyran, J1.074.287K
| Molecular Formula | C6H10S |
| Molecular Weight | 114.05032 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.05032 Da |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
| SMILES | CC1=CCCCS1 |
| InChIKey | KKEOQCCWQMQGHQ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Thiopyran,3,4-dihydro-6-methyl-. With a topological polar surface area (TPSA) of 25.3 Ų, 2H-Thiopyran,3,4-dihydro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyran,3,4-dihydro-6-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Thiopyran,3,4-dihydro-6-methyl- is 13042-79-0.
The molecular formula of 2H-Thiopyran,3,4-dihydro-6-methyl- is C6H10S.
The molecular weight of 2H-Thiopyran,3,4-dihydro-6-methyl- is 114.05032 g/mol.
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