(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol

C9H10O3S — CID 47003491

IUPAC(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESO=S1(=O)CC[C@@H](O)c2ccccc21
InChIInChI=1S/C9H10O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1
InChIKeyHDWSBBCZEGJIPK-MRVPVSSYSA-N
MW198.24 g/mol
LogP0.90
Rot. Bonds

About (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol

(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 47003491) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID47003491
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESO=S1(=O)CC[C@@H](O)c2ccccc21
InChIInChI=1S/C9H10O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1
InChIKeyHDWSBBCZEGJIPK-MRVPVSSYSA-N
XLogP0.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol (CID 47003491) is (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol is O=S1(=O)CC[C@@H](O)c2ccccc21.
What is the InChIKey of (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is HDWSBBCZEGJIPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1.
What are the key properties of (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 198.24 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 47003491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).