| CAS Number | 117850-52-9 |
| Catalog Number | AG008Y0V(AGN-PC-0BUJ9Z) |
| Chemical Name | S2153 |
| IUPAC Name | 7-(diethylamino)-3-thiophen-2-ylchromen-2-one |
| InChI | InChI=1S/C17H17NO2S/c1-3-18(4-2)13-8-7-12-10-14(16-6-5-9-21-16)17(19)20-15(12)11-13/h5-11H,3-4H2,1-2H3 |
| InChI Key | ALJRTBKJTPXLCD-UHFFFAOYSA-N |
| MDL Number | MFCD29089355 |
| Molecular Formula | C17H17NO2S |
| Molecular Weight | 299.3874 |
| SMILES | C(C)N(C1=CC2=C(C=C(C(O2)=O)C=2SC=CC2)C=C1)CC |
| Synonyms | 7-(Diethylamino)-3-(2-thienyl)coumarin,
117850-52-9,
SCHEMBL18113715,
D5007,
7-(diethylamino)-3-(thiophen-2-yl)-2H-chromen-2-one,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.388g/mol |
| Monoisotopic Mass | 299.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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Signal Words
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warning
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UN Code
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\N
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Certificate of Analysis
Lot Number