[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium

C19H23N2S+ — CID 102417247

IUPAC[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium
SMILESCN(C)C(/C=C(\Sc1ccccc1)c1ccccc1)=[N+](C)C
InChIInChI=1S/C19H23N2S/c1-20(2)19(21(3)4)15-18(16-11-7-5-8-12-16)22-17-13-9-6-10-14-17/h5-15H,1-4H3/q+1/b18-15-
InChIKeyHMFADPTUZAEPCP-SDXDJHTJSA-N
MW311.47 g/mol
LogP4.05
Rot. Bonds4

About [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium

[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium (PubChem CID 102417247) has the molecular formula C19H23N2S+ and a molecular weight of 311.47 g/mol. Its IUPAC name is [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium
PubChem CID102417247
Molecular FormulaC19H23N2S+
Molecular Weight311.47 g/mol
Exact Mass311.16
IUPAC Name[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium
SMILESCN(C)C(/C=C(\Sc1ccccc1)c1ccccc1)=[N+](C)C
InChIInChI=1S/C19H23N2S/c1-20(2)19(21(3)4)15-18(16-11-7-5-8-12-16)22-17-13-9-6-10-14-17/h5-15H,1-4H3/q+1/b18-15-
InChIKeyHMFADPTUZAEPCP-SDXDJHTJSA-N
XLogP4.05
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
(Z)-3-(4-methylphenyl)sulfanyl-3-phenylprop-2-enoic acid
CID 5385343
phenyl N,N-dimethylcarbamodithioate
CID 11063386
phenyl N,3-diphenyl-3-phenylsulfanylprop-2-enimidothioate
CID 67545329
3-(4-chlorophenyl)sulfanyl-1,3-diphenylprop-2-en-1-one
CID 71416462
methyl (Z)-3-(4-fluorophenyl)-3-phenylsulfanylprop-2-enoate
CID 11312263
methyl (E)-3-(4-nitrophenyl)-3-phenylsulfanylprop-2-enoate
CID 14638683
[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
CID 101356614
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
CID 139835702
(E)-3-(ethylamino)-1-phenyl-3-phenylsulfanylprop-2-ene-1-thione
CID 11808713

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium (CID 102417247) is [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium is CN(C)C(/C=C(\Sc1ccccc1)c1ccccc1)=[N+](C)C.
What is the InChIKey of [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium?
The InChIKey is HMFADPTUZAEPCP-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H23N2S/c1-20(2)19(21(3)4)15-18(16-11-7-5-8-12-16)22-17-13-9-6-10-14-17/h5-15H,1-4H3/q+1/b18-15-.
What are the key properties of [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium?
[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium has a molecular weight of 311.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 102417247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).