| CAS Number | 1181458-86-5 |
| Catalog Number | AG019UYQ |
| Chemical Name | 4-(1,3-Thiazol-2-yl)aniline dihydrochloride |
| IUPAC Name | 4-(1,3-thiazol-2-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C9H8N2S.2ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;;/h1-6H,10H2;2*1H |
| InChI Key | PPEQPJMBQLMDGB-UHFFFAOYSA-N |
| MDL Number | MFCD11858036 |
| Molecular Formula | C9H10Cl2N2S |
| Molecular Weight | 249.1601 |
| SMILES | Cl.Cl.NC1=CC=C(C2SC=CN=2)C=C1 |
| Synonyms | 4-(1,3-thiazol-2-yl)aniline dihydrochloride,
1181458-86-5,
AC1Q3ARS,
CTK7D7331,
MCULE-3022645314,
NE47928,
EN300-43235,
Z1272949044,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.153g/mol |
| Monoisotopic Mass | 247.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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