7-ethenyl-2,3-dihydrothiochromen-4-one

C11H10OS — CID 22323788

IUPAC7-ethenyl-2,3-dihydrothiochromen-4-one
SMILESC=Cc1ccc2c(c1)SCCC2=O
InChIInChI=1S/C11H10OS/c1-2-8-3-4-9-10(12)5-6-13-11(9)7-8/h2-4,7H,1,5-6H2
InChIKeySUCINMASSQJTNH-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.01
Rot. Bonds1

About 7-ethenyl-2,3-dihydrothiochromen-4-one

7-ethenyl-2,3-dihydrothiochromen-4-one (PubChem CID 22323788) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 7-ethenyl-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name7-ethenyl-2,3-dihydrothiochromen-4-one
PubChem CID22323788
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name7-ethenyl-2,3-dihydrothiochromen-4-one
SMILESC=Cc1ccc2c(c1)SCCC2=O
InChIInChI=1S/C11H10OS/c1-2-8-3-4-9-10(12)5-6-13-11(9)7-8/h2-4,7H,1,5-6H2
InChIKeySUCINMASSQJTNH-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2,3-dihydrothiochromen-4-one?
The IUPAC name of 7-ethenyl-2,3-dihydrothiochromen-4-one (CID 22323788) is 7-ethenyl-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 7-ethenyl-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 7-ethenyl-2,3-dihydrothiochromen-4-one is C=Cc1ccc2c(c1)SCCC2=O.
What is the InChIKey of 7-ethenyl-2,3-dihydrothiochromen-4-one?
The InChIKey is SUCINMASSQJTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-2-8-3-4-9-10(12)5-6-13-11(9)7-8/h2-4,7H,1,5-6H2.
What are the key properties of 7-ethenyl-2,3-dihydrothiochromen-4-one?
7-ethenyl-2,3-dihydrothiochromen-4-one has a molecular weight of 190.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 22323788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).