| CAS Number | 13522-56-0 |
| Catalog Number | AG01ACCB(AGN-PC-0CZG52) |
| Chemical Name | N,N-Dimethyl-1-(pyridin-3-yloxy)methanethioamide |
| IUPAC Name | O-pyridin-3-yl N,N-dimethylcarbamothioate |
| InChI | InChI=1S/C8H10N2OS/c1-10(2)8(12)11-7-4-3-5-9-6-7/h3-6H,1-2H3 |
| InChI Key | KUQSTFCCXKNUBQ-UHFFFAOYSA-N |
| MDL Number | MFCD26407943 |
| Molecular Formula | C8H10N2OS |
| Molecular Weight | 182.2428 |
| SMILES | CN(C(OC1=CN=CC=C1)=S)C |
| Synonyms | N,N-dimethyl-1-(pyridin-3-yloxy)methanethioamide,
13522-56-0,
SCHEMBL3092515,
ZINC95829681,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.241g/mol |
| Monoisotopic Mass | 182.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number