| CAS Number | 938364-43-3 |
| Catalog Number | AG01AI6J |
| Chemical Name | 4-(2-methoxyphenoxy)benzene-1-carbothioamide |
| IUPAC Name | 4-(2-methoxyphenoxy)benzenecarbothioamide |
| InChI | InChI=1S/C14H13NO2S/c1-16-12-4-2-3-5-13(12)17-11-8-6-10(7-9-11)14(15)18/h2-9H,1H3,(H2,15,18) |
| InChI Key | XSCNACOAZUKIPV-UHFFFAOYSA-N |
| MDL Number | MFCD09713890 |
| Molecular Formula | C14H13NO2S |
| Molecular Weight | 259.3235 |
| SMILES | COC1=C(OC2=CC=C(C(N)=S)C=C2)C=CC=C1 |
| Synonyms | 4-(2-methoxyphenoxy)benzene-1-carbothioamide,
938364-43-3,
STL450167,
ZINC11895305,
AKOS000217870,
MCULE-4803019041,
NE37265,
4-(2-methoxyphenoxy)benzenecarbothioamide,
EN300-76828,
Z1352878019,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.323g/mol |
| Monoisotopic Mass | 259.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number