| CAS Number | 915920-35-3 |
| Catalog Number | AG006GLF(AGN-PC-0WB3SE) |
| Chemical Name | 5-[1-(4-Ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C12H15N3OS/c1-3-9-4-6-10(7-5-9)16-8(2)11-14-15-12(13)17-11/h4-8H,3H2,1-2H3,(H2,13,15) |
| InChI Key | YNXINTUMCSZUOG-UHFFFAOYSA-N |
| MDL Number | MFCD06496608 |
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.3320 |
| SMILES | S1C(N)=NN=C1C(C)OC1C=CC(=CC=1)CC |
| Synonyms | 5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine,
915920-35-3,
5-(1-(4-Ethylphenoxy)ethyl)-1,3,4-thiadiazol-2-amine,
AC1NHFMU,
CTK5G9910,
DTXSID10406276,
CHEMBRDG-BB 4024376,
ZX-CM005390,
MFCD06496608,
AKOS003588061,
AKOS016341052,
BB 0219357,
Y-2273,
CID4739331,
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| Complexity | 234 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number