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

C10H10O2S — CID 849527

IUPAC7-methoxy-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc2c(c1)SCCC2=O
InChIInChI=1S/C10H10O2S/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6H,4-5H2,1H3
InChIKeyBBUKQYAMHUQRTO-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.37
Rot. Bonds1

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

7-methoxy-2,3-dihydrothiochromen-4-one (PubChem CID 849527) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 7-methoxy-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name7-methoxy-2,3-dihydrothiochromen-4-one
PubChem CID849527
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name7-methoxy-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc2c(c1)SCCC2=O
InChIInChI=1S/C10H10O2S/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6H,4-5H2,1H3
InChIKeyBBUKQYAMHUQRTO-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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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3-dihydrothiochromen-4-one?
The IUPAC name of 7-methoxy-2,3-dihydrothiochromen-4-one (CID 849527) is 7-methoxy-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 7-methoxy-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 7-methoxy-2,3-dihydrothiochromen-4-one is COc1ccc2c(c1)SCCC2=O.
What is the InChIKey of 7-methoxy-2,3-dihydrothiochromen-4-one?
The InChIKey is BBUKQYAMHUQRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-methoxy-2,3-dihydrothiochromen-4-one?
7-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 7-methoxy-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 849527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).