thiochromen-2-one

C9H6OS — CID 10953838

IUPACthiochromen-2-one
SMILESO=c1ccc2ccccc2s1
InChIInChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyMDYPJPPXVOPUNX-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.26
Rot. Bonds

About thiochromen-2-one

thiochromen-2-one (PubChem CID 10953838) has the molecular formula C9H6OS and a molecular weight of 162.21 g/mol. Its IUPAC name is thiochromen-2-one.

Molecular Properties

Compound Namethiochromen-2-one
PubChem CID10953838
Molecular FormulaC9H6OS
Molecular Weight162.21 g/mol
Exact Mass162.01
IUPAC Namethiochromen-2-one
SMILESO=c1ccc2ccccc2s1
InChIInChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyMDYPJPPXVOPUNX-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiochromen-2-one?
The IUPAC name of thiochromen-2-one (CID 10953838) is thiochromen-2-one.
What is the SMILES notation for thiochromen-2-one?
The canonical SMILES for thiochromen-2-one is O=c1ccc2ccccc2s1.
What is the InChIKey of thiochromen-2-one?
The InChIKey is MDYPJPPXVOPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H.
What are the key properties of thiochromen-2-one?
thiochromen-2-one has a molecular weight of 162.21 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiochromen-2-one is sourced from PubChem (CID 10953838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).