| CAS Number | 1339516-36-7 |
| Catalog Number | AG01A5FX |
| Chemical Name | 3-(3-methoxyphenyl)-1,2,4-oxadiazole-5-thiol |
| IUPAC Name | 3-(3-methoxyphenyl)-2H-1,2,4-oxadiazole-5-thione |
| InChI | InChI=1S/C9H8N2O2S/c1-12-7-4-2-3-6(5-7)8-10-9(14)13-11-8/h2-5H,1H3,(H,10,11,14) |
| InChI Key | VWAFCJLWERTLAK-UHFFFAOYSA-N |
| MDL Number | MFCD17259823 |
| Molecular Formula | C9H8N2O2S |
| Molecular Weight | 208.2370 |
| SMILES | COC1=CC(C2N=C(S)ON=2)=CC=C1 |
| Synonyms | 3-(3-methoxyphenyl)-1,2,4-oxadiazole-5-thiol,
1339516-36-7,
STL451531,
ZINC61881135,
AKOS012253457,
MCULE-6172715388,
NE25203,
Z1642061089,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.235g/mol |
| Monoisotopic Mass | 208.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number