2-phenylthiochromene-4-thione

C15H10S2 — CID 1210992

IUPAC2-phenylthiochromene-4-thione
SMILESS=c1cc(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H10S2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChIKeyYKELPHWMYAKGNL-UHFFFAOYSA-N
MW254.38 g/mol
LogP5.30
Rot. Bonds1

About 2-phenylthiochromene-4-thione

2-phenylthiochromene-4-thione (PubChem CID 1210992) has the molecular formula C15H10S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-phenylthiochromene-4-thione.

Molecular Properties

Compound Name2-phenylthiochromene-4-thione
PubChem CID1210992
Molecular FormulaC15H10S2
Molecular Weight254.38 g/mol
Exact Mass254.02
IUPAC Name2-phenylthiochromene-4-thione
SMILESS=c1cc(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H10S2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChIKeyYKELPHWMYAKGNL-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylthiochromene-4-thione?
The IUPAC name of 2-phenylthiochromene-4-thione (CID 1210992) is 2-phenylthiochromene-4-thione.
What is the SMILES notation for 2-phenylthiochromene-4-thione?
The canonical SMILES for 2-phenylthiochromene-4-thione is S=c1cc(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 2-phenylthiochromene-4-thione?
The InChIKey is YKELPHWMYAKGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10S2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 2-phenylthiochromene-4-thione?
2-phenylthiochromene-4-thione has a molecular weight of 254.38 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylthiochromene-4-thione is sourced from PubChem (CID 1210992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).