1-adamantyl(diphenyl)sulfanium

C22H25S+ — CID 58937302

IUPAC1-adamantyl(diphenyl)sulfanium
SMILESc1ccc([S+](c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H25S/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2/q+1
InChIKeyWSNILOZNLXRXQL-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.69
Rot. Bonds3

About 1-adamantyl(diphenyl)sulfanium

1-adamantyl(diphenyl)sulfanium (PubChem CID 58937302) has the molecular formula C22H25S+ and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-adamantyl(diphenyl)sulfanium.

Molecular Properties

Compound Name1-adamantyl(diphenyl)sulfanium
PubChem CID58937302
Molecular FormulaC22H25S+
Molecular Weight321.51 g/mol
Exact Mass321.17
IUPAC Name1-adamantyl(diphenyl)sulfanium
SMILESc1ccc([S+](c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H25S/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2/q+1
InChIKeyWSNILOZNLXRXQL-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-adamantyl(diphenyl)sulfanium 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

methyl-phenyl-(3-tricyclo[3.3.1.03,7]nonanyl)sulfanium
CID 147153536
N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641
1-[1-adamantyl(phenyl)phosphoryl]adamantane
CID 151160531
1-adamantyl(benzhydryloxy)silane
CID 154199253
trisodium;tris([1-adamantyl(phenyl)methylidene]azanide);benzene
CID 139152158
[4-(1-adamantyl)phenyl]-phenyliodanium
CID 154594349
1-(1-adamantyl)-N,N-diphenylpyridin-1-ium-4-amine chloride
CID 153327233
(1R)-1-(1-adamantyl)-1-phenylethanol
CID 7116226
1-[diazo(phenyl)methyl]adamantane
CID 102002808
1-phenyladamantan-2-one
CID 14194605
1-(4-phenylsulfanylphenyl)adamantane
CID 118102997
2-[bis(1-adamantyl)phosphanyl]aniline
CID 127262751

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(diphenyl)sulfanium?
The IUPAC name of 1-adamantyl(diphenyl)sulfanium (CID 58937302) is 1-adamantyl(diphenyl)sulfanium.
What is the SMILES notation for 1-adamantyl(diphenyl)sulfanium?
The canonical SMILES for 1-adamantyl(diphenyl)sulfanium is c1ccc([S+](c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-adamantyl(diphenyl)sulfanium?
The InChIKey is WSNILOZNLXRXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25S/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2/q+1.
What are the key properties of 1-adamantyl(diphenyl)sulfanium?
1-adamantyl(diphenyl)sulfanium has a molecular weight of 321.51 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(diphenyl)sulfanium is sourced from PubChem (CID 58937302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).