3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol
3-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol
Also Known As: 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol|3-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol|3-(4-methyl-3-oxy-quinazolin-2-ylmethylsulfanyl)-propane-1,2-diol|3-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.08817 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.08817 |
| Monoisotopic Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 7251-57-2 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSCC(CO)O)[O-] |
| InChIKey | LKIPXLLNVPGCAF-UHFFFAOYSA-N |
Product Overview
3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol (CAS 7251-57-2), with molecular formula C13H16N2O3S and molecular weight 280.08817 g/mol. IUPAC: 3-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol.
3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol is a custom synthesis product. We offer services from milligram to kilogram scale.
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