| CAS Number | 58460-17-6 |
| Catalog Number | AG00EORE(AGN-PC-0SPVO2) |
| Chemical Name | 2-Cyclopropyl-1,3-benzothiazol-6-amine |
| IUPAC Name | 2-cyclopropyl-1,3-benzothiazol-6-amine |
| InChI | InChI=1S/C10H10N2S/c11-7-3-4-8-9(5-7)13-10(12-8)6-1-2-6/h3-6H,1-2,11H2 |
| InChI Key | KRMTVFAYLHDXIT-UHFFFAOYSA-N |
| MDL Number | MFCD11215179 |
| Molecular Formula | C10H10N2S |
| Molecular Weight | 190.2648 |
| SMILES | NC1=CC2=C(N=C(C3CC3)S2)C=C1 |
| Synonyms | 2-cyclopropyl-1,3-benzothiazol-6-amine,
58460-17-6,
AC1Q52DQ,
CTK7D8590,
6-Benzothiazolamine, 2-cyclopropyl-,
ZINC36960951,
AKOS009351493,
MCULE-4847216999,
NE31195,
6-Benzothiazolamine,2-cyclopropyl-(9CI),
EN300-59680,
Z1262246184,
6-Benzothiazolamine, 2-cyclopropyl- (9CI),
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.264g/mol |
| Monoisotopic Mass | 190.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number