AC1NE1XG structure

AC1NE1XG

2-benzylsulfanyl-6-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Also Known As: Oprea1_516636|SR-01000465309-1|2-(benzylsulfanyl)-6-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|2-benzylsulfanyl-6-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|3-ALLYL-2-(BENZYLSULFANYL)-6-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE|3-allyl-2-(benzylthio)-6-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

CAS: 369605-14-1
Molecular Formula C21H22N2OS2
Molecular Weight 382.11737 g/mol
LogP 5.0611
Topological Polar Surface Area 34.89 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 382.11737
Monoisotopic Mass 382.11737
Heavy Atoms 26
Complexity 1004.26324

Chemical Identifiers

CAS Number 369605-14-1
SMILES CC1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC=C)SCC4=CC=CC=C4

Product Overview

AC1NE1XG (CAS 369605-14-1), with molecular formula C21H22N2OS2 and molecular weight 382.11737 g/mol. IUPAC: 2-benzylsulfanyl-6-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.

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