6-methyl-1-oxo-2,3-dihydrothiochromen-4-one

C10H10O2S — CID 12708003

IUPAC6-methyl-1-oxo-2,3-dihydrothiochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CCS2=O
InChIInChI=1S/C10H10O2S/c1-7-2-3-10-8(6-7)9(11)4-5-13(10)12/h2-3,6H,4-5H2,1H3
InChIKeySNEBBWNOTIREQE-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.69
Rot. Bonds

About 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one

6-methyl-1-oxo-2,3-dihydrothiochromen-4-one (PubChem CID 12708003) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name6-methyl-1-oxo-2,3-dihydrothiochromen-4-one
PubChem CID12708003
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name6-methyl-1-oxo-2,3-dihydrothiochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CCS2=O
InChIInChI=1S/C10H10O2S/c1-7-2-3-10-8(6-7)9(11)4-5-13(10)12/h2-3,6H,4-5H2,1H3
InChIKeySNEBBWNOTIREQE-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one (CID 12708003) is 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one is Cc1ccc2c(c1)C(=O)CCS2=O.
What is the InChIKey of 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The InChIKey is SNEBBWNOTIREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-7-2-3-10-8(6-7)9(11)4-5-13(10)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
6-methyl-1-oxo-2,3-dihydrothiochromen-4-one has a molecular weight of 194.25 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 12708003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).