6-methoxy-2,3-dihydrothiochromen-4-one

C10H10O2S — CID 10559726

IUPAC6-methoxy-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CCS2
InChIInChI=1S/C10H10O2S/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3
InChIKeyZOTKXOURMMKHFC-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.37
Rot. Bonds1

About 6-methoxy-2,3-dihydrothiochromen-4-one

6-methoxy-2,3-dihydrothiochromen-4-one (PubChem CID 10559726) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name6-methoxy-2,3-dihydrothiochromen-4-one
PubChem CID10559726
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name6-methoxy-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CCS2
InChIInChI=1S/C10H10O2S/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3
InChIKeyZOTKXOURMMKHFC-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
CID 16750524
2,3-Dihydro-6,7-dimethoxy-4h-1-benzothiopyran-4-one
CID 849531
2-(4-methoxyphenyl)-4H-thiochromen-4-one
CID 2324877
2-Methoxythioxanthone
CID 617984
7-Methoxythiochroman-4-one
CID 849527
1,2-dimethoxy-9H-thioxanthen-9-one
CID 4600956
1-(3-Methoxyphenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one
CID 5346051
4H-1-Benzothiopyran-4-one, 6-methoxy-2-phenyl-
CID 100772
(Z)-3-(4-methoxybenzylidene)thiochroman-4-one
CID 6364803
7-methoxy-2-methyl-2,3-dihydro-4H-thiochromen-4-one
CID 3423606
6,7-dimethoxy-2-methyl-2,3-dihydro-4H-thiochromen-4-one
CID 4165166
6-Methoxy-2-methylthiochromen-4-one
CID 330347

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydrothiochromen-4-one?
The IUPAC name of 6-methoxy-2,3-dihydrothiochromen-4-one (CID 10559726) is 6-methoxy-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 6-methoxy-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 6-methoxy-2,3-dihydrothiochromen-4-one is COc1ccc2c(c1)C(=O)CCS2.
What is the InChIKey of 6-methoxy-2,3-dihydrothiochromen-4-one?
The InChIKey is ZOTKXOURMMKHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-methoxy-2,3-dihydrothiochromen-4-one?
6-methoxy-2,3-dihydrothiochromen-4-one has a molecular weight of 194.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 10559726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).