| CAS Number | 19654-38-7 |
| Catalog Number | AG01ABRL(AGN-PC-0BF4Y0) |
| Chemical Name | 1-[(4-formylphenyl)sulfanyl]-N,N-dimethylformamide |
| IUPAC Name | S-(4-formylphenyl) N,N-dimethylcarbamothioate |
| InChI | InChI=1S/C10H11NO2S/c1-11(2)10(13)14-9-5-3-8(7-12)4-6-9/h3-7H,1-2H3 |
| InChI Key | AVYSFQMOPSDSBK-UHFFFAOYSA-N |
| MDL Number | MFCD26407705 |
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.2648 |
| SMILES | CN(C(SC1=CC=C(C=O)C=C1)=O)C |
| Synonyms | 1-[(4-formylphenyl)sulfanyl]-N,N-dimethylformamide,
19654-38-7,
SCHEMBL5479766,
ZINC95829326,
|
| Complexity | 210 |
| 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 | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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