| CAS Number | 933693-22-2 |
| Catalog Number | AG01AV0F(AGN-PC-0WOADB) |
| Chemical Name | [5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]methanamine |
| IUPAC Name | (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine |
| InChI | InChI=1S/C4H7N3S2/c1-8-4-7-6-3(2-5)9-4/h2,5H2,1H3 |
| InChI Key | NNNNOFHPMIZNKM-UHFFFAOYSA-N |
| MDL Number | MFCD24644898 |
| Molecular Formula | C4H7N3S2 |
| Molecular Weight | 161.2485 |
| SMILES | CSC1SC(CN)=NN=1 |
| Synonyms | [5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]methanamine,
933693-22-2,
ZINC95942497,
AKOS026729404,
NE29876,
|
| Complexity | 89.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.241g/mol |
| Monoisotopic Mass | 161.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number