(2-tert-butylphenyl)-dimethylsulfanium

C12H19S+ — CID 11778500

IUPAC(2-tert-butylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccccc1C(C)(C)C
InChIInChI=1S/C12H19S/c1-12(2,3)10-8-6-7-9-11(10)13(4)5/h6-9H,1-5H3/q+1
InChIKeyAXHSVULYOANWLR-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.22
Rot. Bonds1

About (2-tert-butylphenyl)-dimethylsulfanium

(2-tert-butylphenyl)-dimethylsulfanium (PubChem CID 11778500) has the molecular formula C12H19S+ and a molecular weight of 195.35 g/mol. Its IUPAC name is (2-tert-butylphenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(2-tert-butylphenyl)-dimethylsulfanium
PubChem CID11778500
Molecular FormulaC12H19S+
Molecular Weight195.35 g/mol
Exact Mass195.12
IUPAC Name(2-tert-butylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1ccccc1C(C)(C)C
InChIInChI=1S/C12H19S/c1-12(2,3)10-8-6-7-9-11(10)13(4)5/h6-9H,1-5H3/q+1
InChIKeyAXHSVULYOANWLR-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-tert-butylphenyl)-dimethylsulfanium with MolForge

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

Launch Full Analysis

Related Compounds

CID 175472927
CID 175472927
(2-tert-butylphenyl)-diphenylsulfanium bromide
CID 86667399
fluoroform;tris(2-tert-butylphenyl)sulfanium
CID 159444626
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
(2-ethylphenyl)-dimethylsulfanium
CID 19799696
trifluoromethanesulfonate;tris(2-tert-butylphenyl)sulfanium
CID 21225895
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-tert-butyl-2-iodobenzene
CID 637957
(2-tert-butylphenyl)azanium
CID 23026339
CID 172777673
CID 172777673

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-dimethylsulfanium?
The IUPAC name of (2-tert-butylphenyl)-dimethylsulfanium (CID 11778500) is (2-tert-butylphenyl)-dimethylsulfanium.
What is the SMILES notation for (2-tert-butylphenyl)-dimethylsulfanium?
The canonical SMILES for (2-tert-butylphenyl)-dimethylsulfanium is C[S+](C)c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-dimethylsulfanium?
The InChIKey is AXHSVULYOANWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19S/c1-12(2,3)10-8-6-7-9-11(10)13(4)5/h6-9H,1-5H3/q+1.
What are the key properties of (2-tert-butylphenyl)-dimethylsulfanium?
(2-tert-butylphenyl)-dimethylsulfanium has a molecular weight of 195.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-dimethylsulfanium is sourced from PubChem (CID 11778500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).