6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one

C15H7Cl3O2S — CID 86186524

IUPAC6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one
SMILESO=c1cc(Sc2c(Cl)cccc2Cl)c2cc(Cl)ccc2o1
InChIInChI=1S/C15H7Cl3O2S/c16-8-4-5-12-9(6-8)13(7-14(19)20-12)21-15-10(17)2-1-3-11(15)18/h1-7H
InChIKeyHESYPDYRBFZDKL-UHFFFAOYSA-N
MW357.65 g/mol
LogP5.90
Rot. Bonds2

About 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one

6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one (PubChem CID 86186524) has the molecular formula C15H7Cl3O2S and a molecular weight of 357.65 g/mol. Its IUPAC name is 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one.

Molecular Properties

Compound Name6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one
PubChem CID86186524
Molecular FormulaC15H7Cl3O2S
Molecular Weight357.65 g/mol
Exact Mass355.92
IUPAC Name6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one
SMILESO=c1cc(Sc2c(Cl)cccc2Cl)c2cc(Cl)ccc2o1
InChIInChI=1S/C15H7Cl3O2S/c16-8-4-5-12-9(6-8)13(7-14(19)20-12)21-15-10(17)2-1-3-11(15)18/h1-7H
InChIKeyHESYPDYRBFZDKL-UHFFFAOYSA-N
XLogP5.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.65
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-6-chlorochromen-2-one
CID 12936141
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4-(3-bromophenyl)sulfanyl-6-hydroxychromen-2-one
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2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid
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6-chlorochromen-2-one
CID 16321
4-(5-aminopentoxy)-6-chlorochromen-2-one
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9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione
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(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
6-chloro-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one?
The IUPAC name of 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one (CID 86186524) is 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one.
What is the SMILES notation for 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one?
The canonical SMILES for 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one is O=c1cc(Sc2c(Cl)cccc2Cl)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one?
The InChIKey is HESYPDYRBFZDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3O2S/c16-8-4-5-12-9(6-8)13(7-14(19)20-12)21-15-10(17)2-1-3-11(15)18/h1-7H.
What are the key properties of 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one?
6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one has a molecular weight of 357.65 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one is sourced from PubChem (CID 86186524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).