2-phenylbenzo[h]thiochromen-4-one

C19H12OS — CID 830498

IUPAC2-phenylbenzo[h]thiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2c1ccc1ccccc12
InChIInChI=1S/C19H12OS/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKeyFIPDWTYFDMUSNT-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.08
Rot. Bonds1

About 2-phenylbenzo[h]thiochromen-4-one

2-phenylbenzo[h]thiochromen-4-one (PubChem CID 830498) has the molecular formula C19H12OS and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-phenylbenzo[h]thiochromen-4-one.

Molecular Properties

Compound Name2-phenylbenzo[h]thiochromen-4-one
PubChem CID830498
Molecular FormulaC19H12OS
Molecular Weight288.37 g/mol
Exact Mass288.06
IUPAC Name2-phenylbenzo[h]thiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2c1ccc1ccccc12
InChIInChI=1S/C19H12OS/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKeyFIPDWTYFDMUSNT-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzo[h]thiochromen-4-one?
The IUPAC name of 2-phenylbenzo[h]thiochromen-4-one (CID 830498) is 2-phenylbenzo[h]thiochromen-4-one.
What is the SMILES notation for 2-phenylbenzo[h]thiochromen-4-one?
The canonical SMILES for 2-phenylbenzo[h]thiochromen-4-one is O=c1cc(-c2ccccc2)sc2c1ccc1ccccc12.
What is the InChIKey of 2-phenylbenzo[h]thiochromen-4-one?
The InChIKey is FIPDWTYFDMUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12OS/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H.
What are the key properties of 2-phenylbenzo[h]thiochromen-4-one?
2-phenylbenzo[h]thiochromen-4-one has a molecular weight of 288.37 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzo[h]thiochromen-4-one is sourced from PubChem (CID 830498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).