amino-methyl-(4-methylphenyl)sulfanium

C8H12NS+ — CID 176964394

IUPACamino-methyl-(4-methylphenyl)sulfanium
SMILESCc1ccc([S+](C)N)cc1
InChIInChI=1S/C8H12NS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,9H2,1-2H3/q+1
InChIKeyDRPYQUGJZGLAQT-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.48
Rot. Bonds1

About amino-methyl-(4-methylphenyl)sulfanium

amino-methyl-(4-methylphenyl)sulfanium (PubChem CID 176964394) has the molecular formula C8H12NS+ and a molecular weight of 154.26 g/mol. Its IUPAC name is amino-methyl-(4-methylphenyl)sulfanium.

Molecular Properties

Compound Nameamino-methyl-(4-methylphenyl)sulfanium
PubChem CID176964394
Molecular FormulaC8H12NS+
Molecular Weight154.26 g/mol
Exact Mass154.07
IUPAC Nameamino-methyl-(4-methylphenyl)sulfanium
SMILESCc1ccc([S+](C)N)cc1
InChIInChI=1S/C8H12NS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,9H2,1-2H3/q+1
InChIKeyDRPYQUGJZGLAQT-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-methyl-(4-methylphenyl)sulfanium?
The IUPAC name of amino-methyl-(4-methylphenyl)sulfanium (CID 176964394) is amino-methyl-(4-methylphenyl)sulfanium.
What is the SMILES notation for amino-methyl-(4-methylphenyl)sulfanium?
The canonical SMILES for amino-methyl-(4-methylphenyl)sulfanium is Cc1ccc([S+](C)N)cc1.
What is the InChIKey of amino-methyl-(4-methylphenyl)sulfanium?
The InChIKey is DRPYQUGJZGLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,9H2,1-2H3/q+1.
What are the key properties of amino-methyl-(4-methylphenyl)sulfanium?
amino-methyl-(4-methylphenyl)sulfanium has a molecular weight of 154.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-methyl-(4-methylphenyl)sulfanium is sourced from PubChem (CID 176964394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).