| CAS Number | 1248193-65-8 |
| Catalog Number | AG019ZNX |
| Chemical Name | [2-(methoxymethyl)phenyl]thiourea |
| IUPAC Name | [2-(methoxymethyl)phenyl]thiourea |
| InChI | InChI=1S/C9H12N2OS/c1-12-6-7-4-2-3-5-8(7)11-9(10)13/h2-5H,6H2,1H3,(H3,10,11,13) |
| InChI Key | ZALVYHAMQBOMEV-UHFFFAOYSA-N |
| MDL Number | MFCD14680906 |
| Molecular Formula | C9H12N2OS |
| Molecular Weight | 196.2694 |
| SMILES | COCC1=C(NC(N)=S)C=CC=C1 |
| Synonyms | [2-(methoxymethyl)phenyl]thiourea,
1248193-65-8,
ZINC49509595,
AKOS010765794,
NE36517,
RP25454,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.268g/mol |
| Monoisotopic Mass | 196.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number