| CAS Number | 1344100-60-2 |
| Catalog Number | AG00IWAB(AGN-PC-0WAYB1) |
| Chemical Name | 4-(1,3,4-thiadiazol-2-yloxy)aniline |
| IUPAC Name | 4-(1,3,4-thiadiazol-2-yloxy)aniline |
| InChI | InChI=1S/C8H7N3OS/c9-6-1-3-7(4-2-6)12-8-11-10-5-13-8/h1-5H,9H2 |
| InChI Key | IPJQHEBFJPLRLZ-UHFFFAOYSA-N |
| MDL Number | MFCD19102788 |
| Molecular Formula | C8H7N3OS |
| Molecular Weight | 193.2257 |
| SMILES | S2(C(OC1(=CC=C(N)C=C1))=NN=C2) |
| Synonyms | 4-(1,3,4-thiadiazol-2-yloxy)aniline,
1344100-60-2,
KS-000022ZH,
MFCD19102788,
ZINC69967071,
AKOS013476573,
BG-0029,
MCULE-9688928184,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.224g/mol |
| Monoisotopic Mass | 193.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number