7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one

C14H10O3S2 — CID 46224949

IUPAC7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one
SMILESO=c1cc(CSc2cccs2)c2ccc(O)cc2o1
InChIInChI=1S/C14H10O3S2/c15-10-3-4-11-9(6-13(16)17-12(11)7-10)8-19-14-2-1-5-18-14/h1-7,15H,8H2
InChIKeyAOZYWJFWTHDWKZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.85
Rot. Bonds3

About 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one

7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one (PubChem CID 46224949) has the molecular formula C14H10O3S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one
PubChem CID46224949
Molecular FormulaC14H10O3S2
Molecular Weight290.36 g/mol
Exact Mass290.01
IUPAC Name7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one
SMILESO=c1cc(CSc2cccs2)c2ccc(O)cc2o1
InChIInChI=1S/C14H10O3S2/c15-10-3-4-11-9(6-13(16)17-12(11)7-10)8-19-14-2-1-5-18-14/h1-7,15H,8H2
InChIKeyAOZYWJFWTHDWKZ-UHFFFAOYSA-N
XLogP3.85
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one (CID 46224949) is 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one is O=c1cc(CSc2cccs2)c2ccc(O)cc2o1.
What is the InChIKey of 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one?
The InChIKey is AOZYWJFWTHDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S2/c15-10-3-4-11-9(6-13(16)17-12(11)7-10)8-19-14-2-1-5-18-14/h1-7,15H,8H2.
What are the key properties of 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one?
7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one has a molecular weight of 290.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(thiophen-2-ylsulfanylmethyl)chromen-2-one is sourced from PubChem (CID 46224949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).