3-chloro-2H-thiopyrano[3,2-b]chromen-10-one

C12H7ClO2S — CID 154367081

IUPAC3-chloro-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C=C(Cl)CS2
InChIInChI=1S/C12H7ClO2S/c13-7-5-10-12(16-6-7)11(14)8-3-1-2-4-9(8)15-10/h1-5H,6H2
InChIKeyLFFAAPQQAVPHQV-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.48
Rot. Bonds

About 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one

3-chloro-2H-thiopyrano[3,2-b]chromen-10-one (PubChem CID 154367081) has the molecular formula C12H7ClO2S and a molecular weight of 250.71 g/mol. Its IUPAC name is 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one.

Molecular Properties

Compound Name3-chloro-2H-thiopyrano[3,2-b]chromen-10-one
PubChem CID154367081
Molecular FormulaC12H7ClO2S
Molecular Weight250.71 g/mol
Exact Mass249.99
IUPAC Name3-chloro-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C=C(Cl)CS2
InChIInChI=1S/C12H7ClO2S/c13-7-5-10-12(16-6-7)11(14)8-3-1-2-4-9(8)15-10/h1-5H,6H2
InChIKeyLFFAAPQQAVPHQV-UHFFFAOYSA-N
XLogP3.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

thiophene;2H-thiopyrano[3,2-b]chromen-10-one
CID 174831002
(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite
CID 174797485
formyl 2-methylbenzoate;2H-thiopyrano[3,2-b]chromen-10-one
CID 174828124
1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
CID 174814629
propane;xanthen-9-one
CID 90876458
1-(4-chlorophenyl)xanthen-9-one
CID 168812432
3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
CID 170838303
4-[3-(5-chlorothiophen-2-yl)-4-oxochromen-2-yl]benzenesulfonamide
CID 142639086
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039
2-chloro-3-hydroxyxanthen-9-one
CID 14663247
3-chloro-2-hydroxyxanthen-9-one
CID 15617016
4-chloro-3-hydroxyxanthen-9-one
CID 15617000

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one?
The IUPAC name of 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one (CID 154367081) is 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one.
What is the SMILES notation for 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one?
The canonical SMILES for 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one is O=c1c2c(oc3ccccc13)C=C(Cl)CS2.
What is the InChIKey of 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one?
The InChIKey is LFFAAPQQAVPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO2S/c13-7-5-10-12(16-6-7)11(14)8-3-1-2-4-9(8)15-10/h1-5H,6H2.
What are the key properties of 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one?
3-chloro-2H-thiopyrano[3,2-b]chromen-10-one has a molecular weight of 250.71 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2H-thiopyrano[3,2-b]chromen-10-one is sourced from PubChem (CID 154367081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).