6-chloro-2-(4-chlorophenyl)thiochromen-4-one

C15H8Cl2OS — CID 627818

IUPAC6-chloro-2-(4-chlorophenyl)thiochromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl2OS/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H
InChIKeyCVKPKPOBSDRKJD-UHFFFAOYSA-N
MW307.20 g/mol
LogP5.24
Rot. Bonds1

About 6-chloro-2-(4-chlorophenyl)thiochromen-4-one

6-chloro-2-(4-chlorophenyl)thiochromen-4-one (PubChem CID 627818) has the molecular formula C15H8Cl2OS and a molecular weight of 307.20 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)thiochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)thiochromen-4-one
PubChem CID627818
Molecular FormulaC15H8Cl2OS
Molecular Weight307.20 g/mol
Exact Mass305.97
IUPAC Name6-chloro-2-(4-chlorophenyl)thiochromen-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl2OS/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H
InChIKeyCVKPKPOBSDRKJD-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)thiochromen-4-one?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)thiochromen-4-one (CID 627818) is 6-chloro-2-(4-chlorophenyl)thiochromen-4-one.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)thiochromen-4-one?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)thiochromen-4-one is O=c1cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)thiochromen-4-one?
The InChIKey is CVKPKPOBSDRKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2OS/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8H.
What are the key properties of 6-chloro-2-(4-chlorophenyl)thiochromen-4-one?
6-chloro-2-(4-chlorophenyl)thiochromen-4-one has a molecular weight of 307.20 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)thiochromen-4-one is sourced from PubChem (CID 627818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).