Basic information
- CAS
76301-19-4- Standard SMILES
COc1c2occc2c(OC)c2c(=O)cc(CSC)oc12- InChIKey
SWKFRGASPZPNBV-UHFFFAOYSA-N- Molecular formula
- C15H14O5S
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.05619472
Overview
Timefurone is a small molecule drug. Timefurone has a monoisotopic molecular weight of 306.06 Da.
Names & identifiers
- Preferred name
- Timefurone
- IUPAC
- 4,9-dimethoxy-7-(methylsulfanylmethyl)furo[3,2-g]chromen-5-one
- English name
- Timefurone
- Molecular formula
- C15H14O5S
- Molecular weight
- 306.33
Names & synonyms
Timefurone76301-19-4TimefuronaTimefuronumU-56,3214,9-Dimethoxy-7-((methylthio)methyl)-5H-furo(3,2-g)(1)benzopyran-5-one0415629F6CDTXSID40227178U-563214,9-Dimethoxy-7-[(methylthio)methyl]-5H-furo[3,2-g][1]benzopyran-5-oneRefChem:933075DTXCID40149669
Show more names
5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-[(methylthio)methyl]-
4,9-Dimethoxy-7-methylsulfanylmethyl-furo(3,2-g)chromen-5-one4,9-dimethoxy-7-((methylthio)methyl)-5H-furo(3,2g)(1)benzopyran-5-one4,9-dimethoxy-7-(methylsulfanylmethyl)furo[3,2-g]chromen-5-one5H-Furo[3,2-g][1]benzopyran-5-one,4,9-dimethoxy-7-[(methylthio)methyl]-5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-((methylthio)methyl)-Timefuronum [Latin]Timefurona [Spanish]Timefurone [USAN:INN]
Database identifiers
- CAS
76301-19-4- PubChem CID
- 72161
- DTXSID
DTXSID40227178- ChEMBL
CHEMBL297550- UNII
- 0415629F6C
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Boiling point
- 486.1 · 486.1±45.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- FDA UNII
- 415629 F6C · 0415629F6C
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
1 records
Compound notes
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