| CAS Number | 1397002-95-7 |
| Catalog Number | AG009CTW(AGN-PC-0WO0JO) |
| Chemical Name | 2-[(1,3-benzothiazol-2-yl)amino]propanoic acid |
| IUPAC Name | 2-(1,3-benzothiazol-2-ylamino)propanoic acid |
| InChI | InChI=1S/C10H10N2O2S/c1-6(9(13)14)11-10-12-7-4-2-3-5-8(7)15-10/h2-6H,1H3,(H,11,12)(H,13,14) |
| InChI Key | UCKLRJLHKVCNAU-UHFFFAOYSA-N |
| MDL Number | MFCD07343835 |
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.2636 |
| SMILES | CC(NC1=NC2=CC=CC=C2S1)C(O)=O |
| Synonyms | 2-(1,3-benzothiazol-2-ylamino)propanoic acid,
1397002-95-7,
2-[(1,3-benzothiazol-2-yl)amino]propanoic acid,
2-(Benzo[d]thiazol-2-ylamino)propanoic acid,
AC1Q2BMO,
SCHEMBL383066,
CTK7I4997,
HMS1784C05,
AKOS009028964,
MCULE-1958705997,
NE32197,
EN300-14524,
Z104341174,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.262g/mol |
| Monoisotopic Mass | 222.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number