benzo[b]thioxanthen-12-one

C17H10OS — CID 621739

IUPACbenzo[b]thioxanthen-12-one
SMILESO=c1c2ccccc2sc2cc3ccccc3cc12
InChIInChI=1S/C17H10OS/c18-17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1-10H
InChIKeyHWRDHOQOYKQNMJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.57
Rot. Bonds

About benzo[b]thioxanthen-12-one

benzo[b]thioxanthen-12-one (PubChem CID 621739) has the molecular formula C17H10OS and a molecular weight of 262.33 g/mol. Its IUPAC name is benzo[b]thioxanthen-12-one.

Molecular Properties

Compound Namebenzo[b]thioxanthen-12-one
PubChem CID621739
Molecular FormulaC17H10OS
Molecular Weight262.33 g/mol
Exact Mass262.05
IUPAC Namebenzo[b]thioxanthen-12-one
SMILESO=c1c2ccccc2sc2cc3ccccc3cc12
InChIInChI=1S/C17H10OS/c18-17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1-10H
InChIKeyHWRDHOQOYKQNMJ-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzo[b]thioxanthen-12-one?
The IUPAC name of benzo[b]thioxanthen-12-one (CID 621739) is benzo[b]thioxanthen-12-one.
What is the SMILES notation for benzo[b]thioxanthen-12-one?
The canonical SMILES for benzo[b]thioxanthen-12-one is O=c1c2ccccc2sc2cc3ccccc3cc12.
What is the InChIKey of benzo[b]thioxanthen-12-one?
The InChIKey is HWRDHOQOYKQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10OS/c18-17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1-10H.
What are the key properties of benzo[b]thioxanthen-12-one?
benzo[b]thioxanthen-12-one has a molecular weight of 262.33 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]thioxanthen-12-one is sourced from PubChem (CID 621739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).