(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one

C10H9ClO3S — CID 6925766

IUPAC(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESC[C@@H]1CC(=O)c2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H9ClO3S/c1-6-4-9(12)8-5-7(11)2-3-10(8)15(6,13)14/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyXYDOFTXQCQDRSV-ZCFIWIBFSA-N
MW244.70 g/mol
LogP2.09
Rot. Bonds

About (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one

(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (PubChem CID 6925766) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
PubChem CID6925766
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESC[C@@H]1CC(=O)c2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H9ClO3S/c1-6-4-9(12)8-5-7(11)2-3-10(8)15(6,13)14/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyXYDOFTXQCQDRSV-ZCFIWIBFSA-N
XLogP2.09
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (CID 6925766) is (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is C[C@@H]1CC(=O)c2cc(Cl)ccc2S1(=O)=O.
What is the InChIKey of (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The InChIKey is XYDOFTXQCQDRSV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9ClO3S/c1-6-4-9(12)8-5-7(11)2-3-10(8)15(6,13)14/h2-3,5-6H,4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one has a molecular weight of 244.70 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 6925766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).