| CAS Number | 1193388-54-3 |
| Catalog Number | AG019VHL(AGN-PC-0WOSYA) |
| Chemical Name | 4-(1,3,4-Thiadiazol-2-ylsulfanyl)aniline dihydrochloride |
| IUPAC Name | 4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline;dihydrochloride |
| InChI | InChI=1S/C8H7N3S2.2ClH/c9-6-1-3-7(4-2-6)13-8-11-10-5-12-8;;/h1-5H,9H2;2*1H |
| InChI Key | PSKNBIIQFLUIMR-UHFFFAOYSA-N |
| MDL Number | MFCD12197180 |
| Molecular Formula | C8H9Cl2N3S2 |
| Molecular Weight | 282.2132 |
| SMILES | Cl.Cl.NC1=CC=C(SC2SC=NN=2)C=C1 |
| Synonyms | 4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline dihydrochloride,
1193388-54-3,
AC1Q3ARZ,
CTK7D7976,
AKOS026742794,
MCULE-8681508497,
NE34922,
EN300-45267,
Z594413674,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.201g/mol |
| Monoisotopic Mass | 280.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number