| CAS Number | 871548-18-4 |
| Catalog Number | AG019OQP |
| Chemical Name | 6-[(1,3-benzothiazol-2-yl)amino]hexanoic acid |
| IUPAC Name | 6-(1,3-benzothiazol-2-ylamino)hexanoic acid |
| InChI | InChI=1S/C13H16N2O2S/c16-12(17)8-2-1-5-9-14-13-15-10-6-3-4-7-11(10)18-13/h3-4,6-7H,1-2,5,8-9H2,(H,14,15)(H,16,17) |
| InChI Key | BRMMFCVJUTXQIG-UHFFFAOYSA-N |
| MDL Number | MFCD07352234 |
| Molecular Formula | C13H16N2O2S |
| Molecular Weight | 264.3433 |
| SMILES | OC(CCCCCNC1SC2=C(C=CC=C2)N=1)=O |
| Synonyms | 6-[(1,3-benzothiazol-2-yl)amino]hexanoic acid,
871548-18-4,
6-(1,3-benzothiazol-2-ylamino)hexanoic acid,
AC1OFKZ9,
AC1Q75GC,
CTK7J3511,
ZINC4218648,
AKOS000201952,
MCULE-8248643525,
NE17696,
EN300-14920,
Z111874720,
CID7131231,
6-(benzothiazol-2-ylamino)hexanoic Acid,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.343g/mol |
| Monoisotopic Mass | 264.093g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number