4-phenylthioxanthene-9-thione

C19H12S2 — CID 175479915

IUPAC4-phenylthioxanthene-9-thione
SMILESS=c1c2ccccc2sc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H12S2/c20-18-15-9-4-5-12-17(15)21-19-14(10-6-11-16(18)19)13-7-2-1-3-8-13/h1-12H
InChIKeyVLEJECZMJQHLBB-UHFFFAOYSA-N
MW304.44 g/mol
LogP6.45
Rot. Bonds1

About 4-phenylthioxanthene-9-thione

4-phenylthioxanthene-9-thione (PubChem CID 175479915) has the molecular formula C19H12S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-phenylthioxanthene-9-thione.

Molecular Properties

Compound Name4-phenylthioxanthene-9-thione
PubChem CID175479915
Molecular FormulaC19H12S2
Molecular Weight304.44 g/mol
Exact Mass304.04
IUPAC Name4-phenylthioxanthene-9-thione
SMILESS=c1c2ccccc2sc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H12S2/c20-18-15-9-4-5-12-17(15)21-19-14(10-6-11-16(18)19)13-7-2-1-3-8-13/h1-12H
InChIKeyVLEJECZMJQHLBB-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
6-phenyldibenzothiophen-1-amine
CID 154950359
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
1,4-diphenyldibenzothiophene
CID 145331773
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-phenylthiopyrano[3,2-b][1]benzothiole-2-thione
CID 14173520

Frequently Asked Questions

What is the IUPAC name of 4-phenylthioxanthene-9-thione?
The IUPAC name of 4-phenylthioxanthene-9-thione (CID 175479915) is 4-phenylthioxanthene-9-thione.
What is the SMILES notation for 4-phenylthioxanthene-9-thione?
The canonical SMILES for 4-phenylthioxanthene-9-thione is S=c1c2ccccc2sc2c(-c3ccccc3)cccc12.
What is the InChIKey of 4-phenylthioxanthene-9-thione?
The InChIKey is VLEJECZMJQHLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12S2/c20-18-15-9-4-5-12-17(15)21-19-14(10-6-11-16(18)19)13-7-2-1-3-8-13/h1-12H.
What are the key properties of 4-phenylthioxanthene-9-thione?
4-phenylthioxanthene-9-thione has a molecular weight of 304.44 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthioxanthene-9-thione is sourced from PubChem (CID 175479915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).