2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one

C12H10O2S — CID 15921866

IUPAC2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
SMILESO=c1oc2ccccc2c2c1SCCC2
InChIInChI=1S/C12H10O2S/c13-12-11-9(5-3-7-15-11)8-4-1-2-6-10(8)14-12/h1-2,4,6H,3,5,7H2
InChIKeyQACYCYPGOHEQBD-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.83
Rot. Bonds

About 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one

2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one (PubChem CID 15921866) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one.

Molecular Properties

Compound Name2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
PubChem CID15921866
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
SMILESO=c1oc2ccccc2c2c1SCCC2
InChIInChI=1S/C12H10O2S/c13-12-11-9(5-3-7-15-11)8-4-1-2-6-10(8)14-12/h1-2,4,6H,3,5,7H2
InChIKeyQACYCYPGOHEQBD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
CID 170838303
2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one
CID 15921865
(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one
CID 1235172
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one
CID 16754820
methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
CID 91589984
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
furo[3,2-c]chromen-4-one
CID 1488785
2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one
CID 58280704
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one
CID 10759718
1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 5383016

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one?
The IUPAC name of 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one (CID 15921866) is 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one.
What is the SMILES notation for 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one?
The canonical SMILES for 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one is O=c1oc2ccccc2c2c1SCCC2.
What is the InChIKey of 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one?
The InChIKey is QACYCYPGOHEQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-12-11-9(5-3-7-15-11)8-4-1-2-6-10(8)14-12/h1-2,4,6H,3,5,7H2.
What are the key properties of 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one?
2,3-dihydro-1H-thiopyrano[2,3-c]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 2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one is sourced from PubChem (CID 15921866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).