AC1LU9X4

2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile

Also Known As: BAS 01258277|AE-848/33852039|[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile|2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile|{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile|2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile|2-(4-oxo-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2 -ylthio)ethanenitrile

Molecular Formula	C15H15N3OS2
Molecular Weight	317.06564 g/mol
LogP	3.13848
Topological Polar Surface Area	58.68 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	317.06564
Monoisotopic Mass	317.06564
Heavy Atoms	21
Complexity	797.8223

Chemical Identifiers

CAS Number	301357-25-5
SMILES	C=CCN1C(=O)C2=C(N=C1SCC#N)SC3=C2CCCC3