1-oxo-3,4-dihydro-2H-thiochromen-4-ol

C9H10O2S — CID 86155526

IUPAC1-oxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESO=S1CCC(O)c2ccccc21
InChIInChI=1S/C9H10O2S/c10-8-5-6-12(11)9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2
InChIKeyAWOKVPPEEYXQQB-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.23
Rot. Bonds

About 1-oxo-3,4-dihydro-2H-thiochromen-4-ol

1-oxo-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 86155526) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-oxo-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name1-oxo-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID86155526
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-oxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESO=S1CCC(O)c2ccccc21
InChIInChI=1S/C9H10O2S/c10-8-5-6-12(11)9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2
InChIKeyAWOKVPPEEYXQQB-UHFFFAOYSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of 1-oxo-3,4-dihydro-2H-thiochromen-4-ol (CID 86155526) is 1-oxo-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for 1-oxo-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for 1-oxo-3,4-dihydro-2H-thiochromen-4-ol is O=S1CCC(O)c2ccccc21.
What is the InChIKey of 1-oxo-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is AWOKVPPEEYXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-8-5-6-12(11)9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2.
What are the key properties of 1-oxo-3,4-dihydro-2H-thiochromen-4-ol?
1-oxo-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 182.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 86155526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).