(9-phenylthioxanthen-9-yl) perchlorate

C19H13ClO4S — CID 134695164

IUPAC(9-phenylthioxanthen-9-yl) perchlorate
SMILES[O-][Cl+3]([O-])([O-])OC1(c2ccccc2)c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13ClO4S/c21-20(22,23)24-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)25-18-13-7-5-11-16(18)19/h1-13H
InChIKeyGFJIIKIQIWSHEN-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.36
Rot. Bonds3

About (9-phenylthioxanthen-9-yl) perchlorate

(9-phenylthioxanthen-9-yl) perchlorate (PubChem CID 134695164) has the molecular formula C19H13ClO4S and a molecular weight of 372.83 g/mol. Its IUPAC name is (9-phenylthioxanthen-9-yl) perchlorate.

Molecular Properties

Compound Name(9-phenylthioxanthen-9-yl) perchlorate
PubChem CID134695164
Molecular FormulaC19H13ClO4S
Molecular Weight372.83 g/mol
Exact Mass372.02
IUPAC Name(9-phenylthioxanthen-9-yl) perchlorate
SMILES[O-][Cl+3]([O-])([O-])OC1(c2ccccc2)c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13ClO4S/c21-20(22,23)24-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)25-18-13-7-5-11-16(18)19/h1-13H
InChIKeyGFJIIKIQIWSHEN-UHFFFAOYSA-N
XLogP1.36
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-phenylthioxanthen-9-yl) perchlorate?
The IUPAC name of (9-phenylthioxanthen-9-yl) perchlorate (CID 134695164) is (9-phenylthioxanthen-9-yl) perchlorate.
What is the SMILES notation for (9-phenylthioxanthen-9-yl) perchlorate?
The canonical SMILES for (9-phenylthioxanthen-9-yl) perchlorate is [O-][Cl+3]([O-])([O-])OC1(c2ccccc2)c2ccccc2Sc2ccccc21.
What is the InChIKey of (9-phenylthioxanthen-9-yl) perchlorate?
The InChIKey is GFJIIKIQIWSHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO4S/c21-20(22,23)24-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)25-18-13-7-5-11-16(18)19/h1-13H.
What are the key properties of (9-phenylthioxanthen-9-yl) perchlorate?
(9-phenylthioxanthen-9-yl) perchlorate has a molecular weight of 372.83 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-phenylthioxanthen-9-yl) perchlorate is sourced from PubChem (CID 134695164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).