4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid

4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,5-disulfonic acid

Also Known As: USAF K-2602|1-(4,4,6-trimethyl dihydropyrimidine|2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4,8-disulfo-1-naphthyl)-4,4,6-trimethyl-|1,5-Naphthalenedisulfonic acid, 4-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-|1-(4,8-Disulfo-1-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine|1, 4-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-|4-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid|2(1H)-Pyrimidinethione,4-dihydro-1-(4,8-disulfo-1-naphthyl)-4,4,6-trimethyl-|4-(4,4,6-Trimethyl-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1,5-naphthalenedisulfonic acid|4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,5-disulfonic acid|4-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)naphthalene-1,5-disulfonic acid|1,5-NAPHTHALENEDISULFONIC ACID, 4-(3,4-DIHYDRO-4,4,6-TRIMETHYL-2-THIOXO-1(2H)-PYRIMIDINYL)-|4-(1,2,3,4-Tetrahydro-4,4,6-trimethyl-2-thioxopyrimidin-1-yl)-1,5-naphthalenedisulfonic acid|4-(4,4,6-trimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)naphthalene-1,5-disulfonic acid|4-(4,4,6-Trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-1,5-disulfonic acid

Molecular Formula	C17H18N2O6S3
Molecular Weight	442.0327 g/mol
LogP	2.7101
Topological Polar Surface Area	124.01 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	442.0327
Monoisotopic Mass	442.0327
Heavy Atoms	28
Complexity	1247.1348

Chemical Identifiers

CAS Number	6281-68-1
SMILES	CC1=CC(NC(=S)N1C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O)(C)C