2-(7-methoxy-2-oxochromen-4-yl)-N-(2-methoxysulfonothioylethyl)acetamide
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Basic information
- CAS
887406-79-3- Standard SMILES
COc1ccc2c(CC(=O)NCCS(=O)(=S)OC)cc(=O)oc2c1- InChIKey
QDGMKGDMTFRXOJ-UHFFFAOYSA-N- Molecular formula
- C15H17NO6S2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.04972961
Names & identifiers
- Preferred name
- 2-(7-methoxy-2-oxochromen-4-yl)-N-(2-methoxysulfonothioylethyl)acetamide
- IUPAC
- 2-(7-methoxy-2-oxochromen-4-yl)-N-(2-methoxysulfonothioylethyl)acetamide
- English name
- N-[2-Methanethiosulfonylethyl]-7-methoxycoumarin-4-acetamide
- Molecular formula
- C15H17NO6S2
- Molecular weight
- 371.43
Names & synonyms
887406-79-32-(7-methoxy-2-oxochromen-4-yl)-N-(2-methoxysulfonothioylethyl)acetamideDTXSID70405568MFCD013204212-(7-methoxy-2-oxo-chromen-4-yl)-N-(2-methoxysulfonothioylethyl)acetamideO-Methyl 2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetamido]ethane-1-sulfonothioateo-Methyl 2-(2-(7-methoxy-2-oxo-2h-chromen-4-yl)acetamido)ethane-1-sulfonothioate2-[[2-(7-Methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]aMino]ethanesulfonothioic AcidEthanesulfonothioic acid, 2-[[2-(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)acetyl]amino]-, O-methyl ester
Database identifiers
- CAS
887406-79-3- PubChem CID
- 4686394
- DTXSID
DTXSID70405568
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- Melting point
- 158 · 158-160°C
- storage temp.
- -20 °C · -20°C Freezer
- Stability
- Moisture/Temperature/Light Sensitive
Chemistry & industry
Applications
UsesA fluorescent compound used for the rapid and selective modification of sulfhydryl groups of enzymes. Fluorescence: max. Abs. 335nm; max. Em. 393nm
UsesN-[2-Methanethiosulfonylethyl]-7-methoxycoumarin-4-acetamide is a fluorescent compound.
Related reactions
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Compound notes
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