TL;DR: 6-Methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole (CAS 141594-69-6) is a chemical compound with molecular formula C12H13NS and molecular weight 203.07687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
Also Known As: 6-methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole, 6-methyl-1,3,4,5-tetrahydro-thiopyrano[4,3-b]indole
| Molecular Formula | C12H13NS |
| Molecular Weight | 203.07687 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.07687 Da |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
| SMILES | CC1=C2C(=CC=C1)C3=C(N2)CCSC3 |
| InChIKey | LPDDAEMGWDNIGQ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole. With a topological polar surface area (TPSA) of 41.1 Ų, 6-Methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole has 1 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 6-Methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole is 141594-69-6.
The molecular formula of 6-Methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole is C12H13NS.
The molecular weight of 6-Methyl-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole is 203.07687 g/mol.
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