| CAS Number | 153561-34-3 |
| Catalog Number | AG01A58G |
| Chemical Name | 1-(3-formylphenoxy)-N,N-dimethylmethanethioamide |
| IUPAC Name | O-(3-formylphenyl) N,N-dimethylcarbamothioate |
| InChI | InChI=1S/C10H11NO2S/c1-11(2)10(14)13-9-5-3-4-8(6-9)7-12/h3-7H,1-2H3 |
| InChI Key | MUYCLUPTJQTZPT-UHFFFAOYSA-N |
| MDL Number | MFCD24842824 |
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.2648 |
| SMILES | C(=O)C=1C=C(OC(N(C)C)=S)C=CC1 |
| Synonyms | 1-3-formylphenoxy-N,N-dimethylmethanethioamide,
1-(3-formylphenoxy)-N,N-dimethylmethanethioamide,
153561-34-3,
SCHEMBL8610584,
ZINC95347606,
NE55816,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.263g/mol |
| Monoisotopic Mass | 209.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number