| CAS Number | 915923-86-3 |
| Catalog Number | AG006GIU(AGN-PC-0WB4WV) |
| Chemical Name | 5-(2-Phenoxyethyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C10H11N3OS/c11-10-13-12-9(15-10)6-7-14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13) |
| InChI Key | YZEIHPOKYUQDBF-UHFFFAOYSA-N |
| MDL Number | MFCD08691802 |
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.2788 |
| SMILES | S1C(CCOC2=CC=CC=C2)=NN=C1N |
| Synonyms | 5-(2-PHENOXYETHYL)-1,3,4-THIADIAZOL-2-AMINE,
915923-86-3,
CTK5H0124,
DTXSID70589695,
ZINC8728249,
ZX-CM017527,
MFCD08691802,
AKOS009838138,
MCULE-5479762321,
AJ-58737,
2-amino-5-phenoxyethyl-1,3,4-thiadiazole,
Y-4456,
CHEMBRDG-BB7918309,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.278g/mol |
| Monoisotopic Mass | 221.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number