2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid
2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid
Also Known As: USAF K-2601|2(1H)-Pyrimidinethione, 3,4-dihydro-1-(1-sulfo-2-naphthyl)-4,4,6-trimethyl-|1-Naphthalenesulfonic acid, 2-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-|1-(1-Sulfo-2-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine|2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid|1-(1-Sulfo-2-naphthyl)-2-thio-4,6-trimethyl dihydropyrimidine|1-Naphthalenesulfonic acid,4,6-trimethyl-1(4H)-pyrimidinyl)-|2(1H)-Pyrimidinethione,4-dihydro-1-(1-sulfo-2-naphthyl)-4,4,6-trimethyl-|2-(1,2,3,4-Tetrahydro-4,4,6-trimethyl-2-thioxopyrimidin-1-yl)-1-naphthalenesulfonic acid|2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid|1-NAPHTHALENESULFONIC ACID, 2-(3,4-DIHYDRO-4,4,6-TRIMETHYL-2-THIOXO-1(2H)-PYRIMIDINYL)-|2-(4,4,6-trimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)naphthalene-1-sulfonic acid|2-(4,4,6-Trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-1-sulfonic acid
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.0759 g/mol |
| LogP | 3.4634 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.0759 |
| Monoisotopic Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 978.4933 |
Chemical Identifiers
| CAS Number | 6281-66-9 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)(C)C |
Product Overview
2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid (CAS 6281-66-9), with molecular formula C17H18N2O3S2 and molecular weight 362.0759 g/mol. IUPAC: 2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid.