2,3-dihydrobenzo[f]thiochromen-1-one

C13H10OS — CID 686253

IUPAC2,3-dihydrobenzo[f]thiochromen-1-one
SMILESO=C1CCSc2ccc3ccccc3c21
InChIInChI=1S/C13H10OS/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2
InChIKeyZFGBYVYXAMNRCE-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.52
Rot. Bonds

About 2,3-dihydrobenzo[f]thiochromen-1-one

2,3-dihydrobenzo[f]thiochromen-1-one (PubChem CID 686253) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2,3-dihydrobenzo[f]thiochromen-1-one.

Molecular Properties

Compound Name2,3-dihydrobenzo[f]thiochromen-1-one
PubChem CID686253
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name2,3-dihydrobenzo[f]thiochromen-1-one
SMILESO=C1CCSc2ccc3ccccc3c21
InChIInChI=1S/C13H10OS/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2
InChIKeyZFGBYVYXAMNRCE-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzo[f]thiochromen-1-one?
The IUPAC name of 2,3-dihydrobenzo[f]thiochromen-1-one (CID 686253) is 2,3-dihydrobenzo[f]thiochromen-1-one.
What is the SMILES notation for 2,3-dihydrobenzo[f]thiochromen-1-one?
The canonical SMILES for 2,3-dihydrobenzo[f]thiochromen-1-one is O=C1CCSc2ccc3ccccc3c21.
What is the InChIKey of 2,3-dihydrobenzo[f]thiochromen-1-one?
The InChIKey is ZFGBYVYXAMNRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2.
What are the key properties of 2,3-dihydrobenzo[f]thiochromen-1-one?
2,3-dihydrobenzo[f]thiochromen-1-one has a molecular weight of 214.29 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[f]thiochromen-1-one is sourced from PubChem (CID 686253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).