AC1Q1PEG

3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Also Known As: 4-(3-Methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one|2-Mercapto-3-(3-methyl-butyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one|3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one|4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one|2,3,5,6,7,8-Hexahydro-3-(3-methylbutyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one|4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one|4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.02,?]trideca-1(9),2(7),5-trien-3-one

Molecular Formula	C15H20N2OS2
Molecular Weight	308.1017 g/mol
LogP	4.04549
Topological Polar Surface Area	37.79 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	308.1017
Monoisotopic Mass	308.1017
Heavy Atoms	20
Complexity	751.54486

Chemical Identifiers

CAS Number	734544-87-7
SMILES	CC(C)CCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3