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

C16H12O2S2 — CID 174831002

IUPACthiophene;2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C=CCS2.c1ccsc1
InChIInChI=1S/C12H8O2S.C4H4S/c13-11-8-4-1-2-5-9(8)14-10-6-3-7-15-12(10)11;1-2-4-5-3-1/h1-6H,7H2;1-4H
InChIKeyHSBNGRSLJFBXAS-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.66
Rot. Bonds

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

thiophene;2H-thiopyrano[3,2-b]chromen-10-one (PubChem CID 174831002) has the molecular formula C16H12O2S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is thiophene;2H-thiopyrano[3,2-b]chromen-10-one.

Molecular Properties

Compound Namethiophene;2H-thiopyrano[3,2-b]chromen-10-one
PubChem CID174831002
Molecular FormulaC16H12O2S2
Molecular Weight300.40 g/mol
Exact Mass300.03
IUPAC Namethiophene;2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C=CCS2.c1ccsc1
InChIInChI=1S/C12H8O2S.C4H4S/c13-11-8-4-1-2-5-9(8)14-10-6-3-7-15-12(10)11;1-2-4-5-3-1/h1-6H,7H2;1-4H
InChIKeyHSBNGRSLJFBXAS-UHFFFAOYSA-N
XLogP4.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formyl 2-methylbenzoate;2H-thiopyrano[3,2-b]chromen-10-one
CID 174828124
3-chloro-2H-thiopyrano[3,2-b]chromen-10-one
CID 154367081
(10-oxo-2H-thiopyrano[3,2-b]chromen-2-yl) thiohypochlorite
CID 174797485
1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
CID 174814629
4-[(2-chlorophenoxy)methyl]-2H-thiopyrano[3,2-c]chromen-5-one
CID 102270520
propane;xanthen-9-one
CID 90876458
3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
CID 170838303
1,3-dihydroxyxanthen-9-one
CID 5488193
2,3-dihydroxanthen-9-one
CID 144768115
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
CID 15921866
4-ethylxanthen-9-one
CID 15075530

Frequently Asked Questions

What is the IUPAC name of thiophene;2H-thiopyrano[3,2-b]chromen-10-one?
The IUPAC name of thiophene;2H-thiopyrano[3,2-b]chromen-10-one (CID 174831002) is thiophene;2H-thiopyrano[3,2-b]chromen-10-one.
What is the SMILES notation for thiophene;2H-thiopyrano[3,2-b]chromen-10-one?
The canonical SMILES for thiophene;2H-thiopyrano[3,2-b]chromen-10-one is O=c1c2c(oc3ccccc13)C=CCS2.c1ccsc1.
What is the InChIKey of thiophene;2H-thiopyrano[3,2-b]chromen-10-one?
The InChIKey is HSBNGRSLJFBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S.C4H4S/c13-11-8-4-1-2-5-9(8)14-10-6-3-7-15-12(10)11;1-2-4-5-3-1/h1-6H,7H2;1-4H.
What are the key properties of thiophene;2H-thiopyrano[3,2-b]chromen-10-one?
thiophene;2H-thiopyrano[3,2-b]chromen-10-one has a molecular weight of 300.40 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene;2H-thiopyrano[3,2-b]chromen-10-one is sourced from PubChem (CID 174831002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).