3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one

C12H10O2S — CID 170838303

IUPAC3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
SMILESO=c1c2c(oc3ccccc13)SCCC2
InChIInChI=1S/C12H10O2S/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-2,4,6H,3,5,7H2
InChIKeySTZGOUVMAXUAMN-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.83
Rot. Bonds

About 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one

3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one (PubChem CID 170838303) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
PubChem CID170838303
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
SMILESO=c1c2c(oc3ccccc13)SCCC2
InChIInChI=1S/C12H10O2S/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-2,4,6H,3,5,7H2
InChIKeySTZGOUVMAXUAMN-UHFFFAOYSA-N
XLogP2.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
CID 15921866
(4Z)-4-[(4-methylphenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one
CID 177444653
(4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one
CID 177411085
2,4-dihydro-1H-xanthene-3,9-dione
CID 102501574
2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one
CID 58280704
2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 139229832
propane;xanthen-9-one
CID 90876458
2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one
CID 170057452
dibenzofuran;hydrate
CID 70610865
(1E)-1-butylidene-3,4-dihydro-2H-xanthen-9-one
CID 10824843
methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
CID 91589984
3-chloro-2H-thiopyrano[3,2-b]chromen-10-one
CID 154367081

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one?
The IUPAC name of 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one (CID 170838303) is 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one.
What is the SMILES notation for 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one?
The canonical SMILES for 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one is O=c1c2c(oc3ccccc13)SCCC2.
What is the InChIKey of 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one?
The InChIKey is STZGOUVMAXUAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-15-12/h1-2,4,6H,3,5,7H2.
What are the key properties of 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one?
3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one has a molecular weight of 218.28 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one is sourced from PubChem (CID 170838303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).