[chloro(phenylsulfanyl)methylidene]-dimethylazanium

C9H11ClNS+ — CID 11424867

IUPAC[chloro(phenylsulfanyl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(Cl)Sc1ccccc1
InChIInChI=1S/C9H11ClNS/c1-11(2)9(10)12-8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyMLLOPWSYSFWZRG-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.65
Rot. Bonds1

About [chloro(phenylsulfanyl)methylidene]-dimethylazanium

[chloro(phenylsulfanyl)methylidene]-dimethylazanium (PubChem CID 11424867) has the molecular formula C9H11ClNS+ and a molecular weight of 200.71 g/mol. Its IUPAC name is [chloro(phenylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[chloro(phenylsulfanyl)methylidene]-dimethylazanium
PubChem CID11424867
Molecular FormulaC9H11ClNS+
Molecular Weight200.71 g/mol
Exact Mass200.03
IUPAC Name[chloro(phenylsulfanyl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(Cl)Sc1ccccc1
InChIInChI=1S/C9H11ClNS/c1-11(2)9(10)12-8-6-4-3-5-7-8/h3-7H,1-2H3/q+1
InChIKeyMLLOPWSYSFWZRG-UHFFFAOYSA-N
XLogP2.65
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of [chloro(phenylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [chloro(phenylsulfanyl)methylidene]-dimethylazanium (CID 11424867) is [chloro(phenylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [chloro(phenylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [chloro(phenylsulfanyl)methylidene]-dimethylazanium is C[N+](C)=C(Cl)Sc1ccccc1.
What is the InChIKey of [chloro(phenylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is MLLOPWSYSFWZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClNS/c1-11(2)9(10)12-8-6-4-3-5-7-8/h3-7H,1-2H3/q+1.
What are the key properties of [chloro(phenylsulfanyl)methylidene]-dimethylazanium?
[chloro(phenylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 200.71 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenylsulfanyl)methylidene]-dimethylazanium is sourced from PubChem (CID 11424867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).