[2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium

C14H14NS+ — CID 163487893

IUPAC[2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium
SMILES[H]/N=C(\c1ccccc1C)c1ccccc1[SH2+]
InChIInChI=1S/C14H13NS/c1-10-6-2-3-7-11(10)14(15)12-8-4-5-9-13(12)16/h2-9,15-16H,1H3/p+1/b15-14+
InChIKeyCKCREIBRVZDAMJ-CCEZHUSRSA-O
MW228.34 g/mol
LogP2.78
Rot. Bonds2

About [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium

[2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium (PubChem CID 163487893) has the molecular formula C14H14NS+ and a molecular weight of 228.34 g/mol. Its IUPAC name is [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium.

Molecular Properties

Compound Name[2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium
PubChem CID163487893
Molecular FormulaC14H14NS+
Molecular Weight228.34 g/mol
Exact Mass228.08
IUPAC Name[2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium
SMILES[H]/N=C(\c1ccccc1C)c1ccccc1[SH2+]
InChIInChI=1S/C14H13NS/c1-10-6-2-3-7-11(10)14(15)12-8-4-5-9-13(12)16/h2-9,15-16H,1H3/p+1/b15-14+
InChIKeyCKCREIBRVZDAMJ-CCEZHUSRSA-O
XLogP2.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium?
The IUPAC name of [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium (CID 163487893) is [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium.
What is the SMILES notation for [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium?
The canonical SMILES for [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium is [H]/N=C(\c1ccccc1C)c1ccccc1[SH2+].
What is the InChIKey of [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium?
The InChIKey is CKCREIBRVZDAMJ-CCEZHUSRSA-O. The full InChI is InChI=1S/C14H13NS/c1-10-6-2-3-7-11(10)14(15)12-8-4-5-9-13(12)16/h2-9,15-16H,1H3/p+1/b15-14+.
What are the key properties of [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium?
[2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium has a molecular weight of 228.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbenzenecarboximidoyl)phenyl]sulfanium is sourced from PubChem (CID 163487893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).