TL;DR: 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide (CAS 141931-03-5) is a chemical compound with molecular formula C6H15N2OPS and molecular weight 194.06427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-1,3-dimethyl-2-sulfanylidene-1,3,2λ5-diazaphosphinane
Also Known As: 2-methoxy-1,3-dimethyl-2-sulfanylidene-1,3,2, 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide, 2-Methoxy-1,3-dimethyl-1,3,2lambda~5~-diazaphosphinane-2-thione, 2-methoxy-1,3-dimethyl-2-sulfanylidene-1,3-diaza-2$l^{5}-phosphacyclohexane
| Molecular Formula | C6H15N2OPS |
| Molecular Weight | 194.06427 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.06427 Da |
| Heavy Atoms | 11 |
| Complexity | 173.0 |
| SMILES | CN1CCCN(P1(=S)OC)C |
| InChIKey | YJRYVVHBRIIKMF-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide. With a topological polar surface area (TPSA) of 47.8 Ų, 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide is 141931-03-5.
The molecular formula of 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide is C6H15N2OPS.
The molecular weight of 1,3,2-Diazaphosphorine, hexahydro-2-methoxy-1,3-dimethyl-, 2-sulfide is 194.06427 g/mol.
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