| CAS Number | 915922-59-7 |
| Catalog Number | AG00GVSM(AGN-PC-0WB4WW) |
| Chemical Name | 5-(2-(3,4-Dimethylphenoxy)ethyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-[2-(3,4-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C12H15N3OS/c1-8-3-4-10(7-9(8)2)16-6-5-11-14-15-12(13)17-11/h3-4,7H,5-6H2,1-2H3,(H2,13,15) |
| InChI Key | IZVSWPOKLBAISJ-UHFFFAOYSA-N |
| MDL Number | MFCD08691803 |
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.3320 |
| SMILES | S1C(CCOC2=CC=C(C(C)=C2)C)=NN=C1N |
| Synonyms | 915922-59-7,
5-[2-(3,4-DIMETHYLPHENOXY)ETHYL]-1,3,4-THIADIAZOL-2-AMINE,
5-(2-(3,4-Dimethylphenoxy)ethyl)-1,3,4-thiadiazol-2-amine,
CTK5H0042,
DTXSID00589704,
CHEMBRDG-BB 7918310,
ZINC8728426,
ZX-CM017528,
MFCD08691803,
AKOS022185154,
MCULE-7900720477,
AJ-58744,
Y-4457,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.332g/mol |
| Monoisotopic Mass | 249.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number