3-ethylsulfanyl-4-hydroxychromen-2-one

C11H10O3S — CID 86081050

IUPAC3-ethylsulfanyl-4-hydroxychromen-2-one
SMILESCCSc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C11H10O3S/c1-2-15-10-9(12)7-5-3-4-6-8(7)14-11(10)13/h3-6,12H,2H2,1H3
InChIKeyZADUQQFMVVLCRH-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.61
Rot. Bonds2

About 3-ethylsulfanyl-4-hydroxychromen-2-one

3-ethylsulfanyl-4-hydroxychromen-2-one (PubChem CID 86081050) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-ethylsulfanyl-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-ethylsulfanyl-4-hydroxychromen-2-one
PubChem CID86081050
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name3-ethylsulfanyl-4-hydroxychromen-2-one
SMILESCCSc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C11H10O3S/c1-2-15-10-9(12)7-5-3-4-6-8(7)14-11(10)13/h3-6,12H,2H2,1H3
InChIKeyZADUQQFMVVLCRH-UHFFFAOYSA-N
XLogP2.61
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 54703982
4-hydroxy-3-(2-phenoxyethylsulfanyl)chromen-2-one
CID 54686609
4-hydroxy-3-methylchromen-2-one
CID 54687016
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one
CID 177410002
4-hydroxy-3-(3-methylbut-2-enyl)chromen-2-one
CID 54706607
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
ethanol;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87573197
4-(diethylaminomethyl)-3-hydroxychromen-2-one
CID 125486554
3-[1-(4-ethylphenyl)butyl]-4-hydroxychromen-2-one
CID 54724918

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4-hydroxychromen-2-one?
The IUPAC name of 3-ethylsulfanyl-4-hydroxychromen-2-one (CID 86081050) is 3-ethylsulfanyl-4-hydroxychromen-2-one.
What is the SMILES notation for 3-ethylsulfanyl-4-hydroxychromen-2-one?
The canonical SMILES for 3-ethylsulfanyl-4-hydroxychromen-2-one is CCSc1c(O)c2ccccc2oc1=O.
What is the InChIKey of 3-ethylsulfanyl-4-hydroxychromen-2-one?
The InChIKey is ZADUQQFMVVLCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-2-15-10-9(12)7-5-3-4-6-8(7)14-11(10)13/h3-6,12H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-4-hydroxychromen-2-one?
3-ethylsulfanyl-4-hydroxychromen-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4-hydroxychromen-2-one is sourced from PubChem (CID 86081050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).