[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium

C18H22ClN2OS+ — CID 170608254

IUPAC[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium
SMILESC/C(=N/[N+](C)(C)S(=O)c1ccc(C)cc1)c1c(C)cccc1Cl
InChIInChI=1S/C18H22ClN2OS/c1-13-9-11-16(12-10-13)23(22)21(4,5)20-15(3)18-14(2)7-6-8-17(18)19/h6-12H,1-5H3/q+1/b20-15-
InChIKeyLACZCCFWILMUPG-HKWRFOASSA-N
MW349.91 g/mol
LogP4.48
Rot. Bonds4

About [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium

[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium (PubChem CID 170608254) has the molecular formula C18H22ClN2OS+ and a molecular weight of 349.91 g/mol. Its IUPAC name is [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium.

Molecular Properties

Compound Name[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium
PubChem CID170608254
Molecular FormulaC18H22ClN2OS+
Molecular Weight349.91 g/mol
Exact Mass349.11
IUPAC Name[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium
SMILESC/C(=N/[N+](C)(C)S(=O)c1ccc(C)cc1)c1c(C)cccc1Cl
InChIInChI=1S/C18H22ClN2OS/c1-13-9-11-16(12-10-13)23(22)21(4,5)20-15(3)18-14(2)7-6-8-17(18)19/h6-12H,1-5H3/q+1/b20-15-
InChIKeyLACZCCFWILMUPG-HKWRFOASSA-N
XLogP4.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide;ethane;propane
CID 170607588
1-chloro-3-methyl-2-[(E)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
CID 170608084
lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
CID 141016755
N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
CID 170607634
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
1-(2,6-dichlorophenyl)-N-(2,4-dimethylphenyl)ethanimine
CID 143659682
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride
CID 170607724
(4-methylphenyl) (1E)-2,6-dichloro-N-hydroxybenzenecarboximidothioate
CID 88663870
(4-methylphenyl) 2,6-dichloro-N-hydroxybenzenecarboximidothioate
CID 154508247
(NE,S)-4-methyl-N-(3-methylbutan-2-ylidene)benzenesulfinamide
CID 135085740
(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
CID 18513613

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium?
The IUPAC name of [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium (CID 170608254) is [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium.
What is the SMILES notation for [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium?
The canonical SMILES for [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium is C/C(=N/[N+](C)(C)S(=O)c1ccc(C)cc1)c1c(C)cccc1Cl.
What is the InChIKey of [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium?
The InChIKey is LACZCCFWILMUPG-HKWRFOASSA-N. The full InChI is InChI=1S/C18H22ClN2OS/c1-13-9-11-16(12-10-13)23(22)21(4,5)20-15(3)18-14(2)7-6-8-17(18)19/h6-12H,1-5H3/q+1/b20-15-.
What are the key properties of [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium?
[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium has a molecular weight of 349.91 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium is sourced from PubChem (CID 170608254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).