8-methylsulfinylchromen-2-one

C10H8O3S — CID 53316704

IUPAC8-methylsulfinylchromen-2-one
SMILESCS(=O)c1cccc2ccc(=O)oc12
InChIInChI=1S/C10H8O3S/c1-14(12)8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3
InChIKeyQCJKGBMZDGWKPO-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.53
Rot. Bonds1

About 8-methylsulfinylchromen-2-one

8-methylsulfinylchromen-2-one (PubChem CID 53316704) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 8-methylsulfinylchromen-2-one.

Molecular Properties

Compound Name8-methylsulfinylchromen-2-one
PubChem CID53316704
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name8-methylsulfinylchromen-2-one
SMILESCS(=O)c1cccc2ccc(=O)oc12
InChIInChI=1S/C10H8O3S/c1-14(12)8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3
InChIKeyQCJKGBMZDGWKPO-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfinylchromen-2-one?
The IUPAC name of 8-methylsulfinylchromen-2-one (CID 53316704) is 8-methylsulfinylchromen-2-one.
What is the SMILES notation for 8-methylsulfinylchromen-2-one?
The canonical SMILES for 8-methylsulfinylchromen-2-one is CS(=O)c1cccc2ccc(=O)oc12.
What is the InChIKey of 8-methylsulfinylchromen-2-one?
The InChIKey is QCJKGBMZDGWKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-14(12)8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3.
What are the key properties of 8-methylsulfinylchromen-2-one?
8-methylsulfinylchromen-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfinylchromen-2-one is sourced from PubChem (CID 53316704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).