| CAS Number | 915923-06-7 |
| Catalog Number | AG006GJ8(AGN-PC-0WB50Z) |
| Chemical Name | 5-(2-(m-Tolyloxy)ethyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C11H13N3OS/c1-8-3-2-4-9(7-8)15-6-5-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3,(H2,12,14) |
| InChI Key | PMBYIFQKPOWPDW-UHFFFAOYSA-N |
| MDL Number | MFCD08691879 |
| Molecular Formula | C11H13N3OS |
| Molecular Weight | 235.3054 |
| SMILES | S1C(CCOC2=CC=CC(C)=C2)=NN=C1N |
| Synonyms | 915923-06-7,
5-[2-(3-METHYLPHENOXY)ETHYL]-1,3,4-THIADIAZOL-2-AMINE,
5-(2-(m-Tolyloxy)ethyl)-1,3,4-thiadiazol-2-amine,
CTK5H0070,
DTXSID20589701,
ZINC8728317,
ZX-CM017878,
MFCD08691879,
AKOS009840710,
MCULE-1114138712,
AJ-58741,
BC4214684,
Y-4518,
CHEMBRDG-BB9070541,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.305g/mol |
| Monoisotopic Mass | 235.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number