6-bromo-2-phenylthiochromen-4-one

C15H9BrOS — CID 629003

IUPAC6-bromo-2-phenylthiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2ccc(Br)cc12
InChIInChI=1S/C15H9BrOS/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyWSRKEGIUGPMGAT-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.69
Rot. Bonds1

About 6-bromo-2-phenylthiochromen-4-one

6-bromo-2-phenylthiochromen-4-one (PubChem CID 629003) has the molecular formula C15H9BrOS and a molecular weight of 317.21 g/mol. Its IUPAC name is 6-bromo-2-phenylthiochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-phenylthiochromen-4-one
PubChem CID629003
Molecular FormulaC15H9BrOS
Molecular Weight317.21 g/mol
Exact Mass315.96
IUPAC Name6-bromo-2-phenylthiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2ccc(Br)cc12
InChIInChI=1S/C15H9BrOS/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyWSRKEGIUGPMGAT-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylthiochromen-4-one?
The IUPAC name of 6-bromo-2-phenylthiochromen-4-one (CID 629003) is 6-bromo-2-phenylthiochromen-4-one.
What is the SMILES notation for 6-bromo-2-phenylthiochromen-4-one?
The canonical SMILES for 6-bromo-2-phenylthiochromen-4-one is O=c1cc(-c2ccccc2)sc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-phenylthiochromen-4-one?
The InChIKey is WSRKEGIUGPMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrOS/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-bromo-2-phenylthiochromen-4-one?
6-bromo-2-phenylthiochromen-4-one has a molecular weight of 317.21 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylthiochromen-4-one is sourced from PubChem (CID 629003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).