9-phenylthioxanthen-10-ium perchlorate

C19H13ClO4S — CID 146050840

IUPAC9-phenylthioxanthen-10-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c3ccccc3[s+]c3ccccc23)cc1
InChIInChI=1S/C19H13S.ClHO4/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1
InChIKeyGVSJKTIRKSTBLG-UHFFFAOYSA-M
MW372.83 g/mol
LogP1.25
Rot. Bonds1

About 9-phenylthioxanthen-10-ium perchlorate

9-phenylthioxanthen-10-ium perchlorate (PubChem CID 146050840) has the molecular formula C19H13ClO4S and a molecular weight of 372.83 g/mol. Its IUPAC name is 9-phenylthioxanthen-10-ium perchlorate.

Molecular Properties

Compound Name9-phenylthioxanthen-10-ium perchlorate
PubChem CID146050840
Molecular FormulaC19H13ClO4S
Molecular Weight372.83 g/mol
Exact Mass372.02
IUPAC Name9-phenylthioxanthen-10-ium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c3ccccc3[s+]c3ccccc23)cc1
InChIInChI=1S/C19H13S.ClHO4/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1
InChIKeyGVSJKTIRKSTBLG-UHFFFAOYSA-M
XLogP1.25
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-methylphenyl)thioxanthen-10-ium
CID 101172768
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-N,2-N,7-N,7-N-tetramethyl-9-phenylthioxanthen-10-ium-2,7-diamine chloride
CID 87331561
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
dimethyl-methylidene-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-λ5-phosphane
CID 158473253
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-iodo-10-phenylanthracene
CID 14958373

Frequently Asked Questions

What is the IUPAC name of 9-phenylthioxanthen-10-ium perchlorate?
The IUPAC name of 9-phenylthioxanthen-10-ium perchlorate (CID 146050840) is 9-phenylthioxanthen-10-ium perchlorate.
What is the SMILES notation for 9-phenylthioxanthen-10-ium perchlorate?
The canonical SMILES for 9-phenylthioxanthen-10-ium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2c3ccccc3[s+]c3ccccc23)cc1.
What is the InChIKey of 9-phenylthioxanthen-10-ium perchlorate?
The InChIKey is GVSJKTIRKSTBLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13S.ClHO4/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 9-phenylthioxanthen-10-ium perchlorate?
9-phenylthioxanthen-10-ium perchlorate has a molecular weight of 372.83 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylthioxanthen-10-ium perchlorate is sourced from PubChem (CID 146050840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).