| CAS Number | 299933-82-7 |
| Catalog Number | AG01ABIG(AGN-PC-0WO715) |
| Chemical Name | 5-(3-Methoxybenzyl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C10H11N3OS/c1-14-8-4-2-3-7(5-8)6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13) |
| InChI Key | ZCGKFLJMXCVTPS-UHFFFAOYSA-N |
| MDL Number | MFCD02664081 |
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.2788 |
| SMILES | COC1=CC(CC2SC(N)=NN=2)=CC=C1 |
| Synonyms | 5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine,
299933-82-7,
5-(3-methoxybenzyl)-1,3,4-thiadiazol-2-amine,
AC1MLXYF,
AC1Q48DI,
ZINC3716258,
AKOS009838140,
MCULE-8235322099,
NE29988,
EN300-71712,
Z1266823236,
ZINC03716258,
CID3252288,
|
| Complexity | 205 |
| 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 | 3 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number