2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-
5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-2-sulfonic acid
Also Known As: USAF K-1565|5- -2-naphthalenesulfonicacid|NCGC00246841-01|2(1H)-Pyrimidinethione, 3,4-dihydro-1-(6-sulfo-1-naphthyl)-4,4,6-trimethyl-|1-(6-Sulfo-1-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine|2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-|1-(6-Sulfo-1-naphthyl)-2-thio-4,6-trimethyl dihydropyrimidine|2-Naphthalenesulfonic acid,4,6-trimethyl-1(4H)-pyrimidinyl)-|5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphtha|5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-2-sulfonic acid|2(1H)-Pyrimidinethione,4-dihydro-1-(6-sulfo-1-naphthyl)-4,4,6-trimethyl-|5-(1,2,3,4-Tetrahydro-4,4,6-trimethyl-2-thioxopyrimidin-1-yl)-2-naphthalenesulfonic acid|2-NAPHTHALENESULFONIC ACID, 5-(3,4-DIHYDRO-4,4,6-TRIMETHYL-2-THIOXO-1(2H)-PYRIMIDINYL)-|5-(3,4-DIHYDRO-4,4,6-TRIMETHYL-2-THIOXO-1(2H)-PYRIMIDINYL)-2-NAPHTHALENESULFONIC ACID|5-(4,4,6-trimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)naphthalene-2-sulfonic acid|5-(4,4,6-Trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-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 | 6281-67-0 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)(C)C |
Product Overview
2-Naphthalenesulfonic acid, 5-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- (CAS 6281-67-0), with molecular formula C17H18N2O3S2 and molecular weight 362.0759 g/mol. IUPAC: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-2-sulfonic acid.