| CAS Number | 852399-65-6 |
| Catalog Number | AG019O5O |
| Chemical Name | N-(2-ethylphenyl)-1,3-benzothiazol-2-amine |
| IUPAC Name | N-(2-ethylphenyl)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C15H14N2S/c1-2-11-7-3-4-8-12(11)16-15-17-13-9-5-6-10-14(13)18-15/h3-10H,2H2,1H3,(H,16,17) |
| InChI Key | VUTKSFZEVHGWTA-UHFFFAOYSA-N |
| MDL Number | MFCD06655532 |
| Molecular Formula | C15H14N2S |
| Molecular Weight | 254.3501 |
| SMILES | CCC1=C(NC2SC3=C(C=CC=C3)N=2)C=CC=C1 |
| Synonyms | N-(2-ethylphenyl)-1,3-benzothiazol-2-amine,
852399-65-6,
AC1NLQ41,
AC1Q2T4U,
SCHEMBL9358641,
CTK6D2263,
ZINC3888748,
AKOS008987677,
MCULE-7911809045,
NE19140,
EN300-12847,
AB00731799-01,
Z85933425,
ZINC03888748,
CID4962097,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.351g/mol |
| Monoisotopic Mass | 254.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number