5,8-dichloro-2-phenylthiochromen-4-one

C15H8Cl2OS — CID 13211856

IUPAC5,8-dichloro-2-phenylthiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C15H8Cl2OS/c16-10-6-7-11(17)15-14(10)12(18)8-13(19-15)9-4-2-1-3-5-9/h1-8H
InChIKeyIYGDLKZSVJCCFP-UHFFFAOYSA-N
MW307.20 g/mol
LogP5.24
Rot. Bonds1

About 5,8-dichloro-2-phenylthiochromen-4-one

5,8-dichloro-2-phenylthiochromen-4-one (PubChem CID 13211856) has the molecular formula C15H8Cl2OS and a molecular weight of 307.20 g/mol. Its IUPAC name is 5,8-dichloro-2-phenylthiochromen-4-one.

Molecular Properties

Compound Name5,8-dichloro-2-phenylthiochromen-4-one
PubChem CID13211856
Molecular FormulaC15H8Cl2OS
Molecular Weight307.20 g/mol
Exact Mass305.97
IUPAC Name5,8-dichloro-2-phenylthiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C15H8Cl2OS/c16-10-6-7-11(17)15-14(10)12(18)8-13(19-15)9-4-2-1-3-5-9/h1-8H
InChIKeyIYGDLKZSVJCCFP-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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Related Compounds

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3-chloro-6-phenyl-1H-pyridin-2-one
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5-bromo-8-chloro-2-phenyl-1H-quinolin-4-one
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5,15-diphenyl-4,14-dithiahexacyclo[9.9.2.02,10.03,7.012,20.013,17]docosa-2(10),3(7),5,8,12(20),13(17),15,18-octaene-21,22-dione
CID 122233011
2-methyl-7-phenylthiopyrano[2,3-g][1,3]benzoxazol-9-one
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3,4,7-trichloro-1-benzothiophene-2-carboxylic acid
CID 16770185
2-phenylcyclopenta[b]thiophen-4-one
CID 175578441
6-chloro-1-(2-phenylphenyl)dibenzothiophene
CID 176630481
5,8,13,16,21,24-hexakis-phenyl-4,12,20-trithia-8,16,24-triazaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaene
CID 58613017
2-phenyl-7-(trifluoromethyl)thiochromen-4-one
CID 154712014

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-phenylthiochromen-4-one?
The IUPAC name of 5,8-dichloro-2-phenylthiochromen-4-one (CID 13211856) is 5,8-dichloro-2-phenylthiochromen-4-one.
What is the SMILES notation for 5,8-dichloro-2-phenylthiochromen-4-one?
The canonical SMILES for 5,8-dichloro-2-phenylthiochromen-4-one is O=c1cc(-c2ccccc2)sc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 5,8-dichloro-2-phenylthiochromen-4-one?
The InChIKey is IYGDLKZSVJCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2OS/c16-10-6-7-11(17)15-14(10)12(18)8-13(19-15)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5,8-dichloro-2-phenylthiochromen-4-one?
5,8-dichloro-2-phenylthiochromen-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 5,8-dichloro-2-phenylthiochromen-4-one is sourced from PubChem (CID 13211856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).