AC1LITU3 structure

AC1LITU3

(5E)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Also Known As: (5E)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione|(5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(E)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|5-[1-(1-Cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)-meth-(E)-ylidene]-1-methyl-2-thioxo-dihydro-pyrimidine-4,6-dione

CAS: 1164544-48-2
Molecular Formula C18H23N3O2S
Molecular Weight 345.1511 g/mol
LogP 2.86664
Topological Polar Surface Area 54.34 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 345.1511
Monoisotopic Mass 345.1511
Heavy Atoms 24
Complexity 741.6902

Chemical Identifiers

CAS Number 1164544-48-2
SMILES CC1=CC(=C(N1C2CCCCC2)C)/C=C/3\C(=O)NC(=S)N(C3=O)C

Product Overview

AC1LITU3 (CAS 1164544-48-2), with molecular formula C18H23N3O2S and molecular weight 345.1511 g/mol. IUPAC: (5E)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

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