| CAS Number | 77859-33-7 |
| Catalog Number | AG01A71X |
| Chemical Name | 4-phenoxy-1,3-benzothiazol-2-amine |
| IUPAC Name | 4-phenoxy-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C13H10N2OS/c14-13-15-12-10(7-4-8-11(12)17-13)16-9-5-2-1-3-6-9/h1-8H,(H2,14,15) |
| InChI Key | SLROQLPSKILYLU-UHFFFAOYSA-N |
| MDL Number | MFCD10689209 |
| Molecular Formula | C13H10N2OS |
| Molecular Weight | 242.2963 |
| SMILES | NC1SC2=C(C(=CC=C2)OC2=CC=CC=C2)N=1 |
| Synonyms | 4-phenoxy-1,3-benzothiazol-2-amine,
77859-33-7,
2-amino-4-phenoxybenzothiazole,
SCHEMBL11109898,
SLROQLPSKILYLU-UHFFFAOYSA-N,
ZINC34955939,
AKOS005202344,
MCULE-2843236191,
NE51847,
Z1694636535,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.296g/mol |
| Monoisotopic Mass | 242.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number