| CAS Number | 57334-19-7 |
| Catalog Number | AG019ELU(AGN-PC-0N4ISG) |
| Chemical Name | 6-Amino-3-Methyl-2,3-Dihydro-1,3-Benzothiazol-2-One |
| IUPAC Name | 6-amino-3-methyl-1,3-benzothiazol-2-one |
| InChI | InChI=1S/C8H8N2OS/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3 |
| InChI Key | STDGBEKVJJKVNB-UHFFFAOYSA-N |
| MDL Number | MFCD00848405 |
| Molecular Formula | C8H8N2OS |
| Molecular Weight | 180.2269 |
| SMILES | Cn1c2ccc(N)cc2sc1=O |
| Synonyms | 57334-19-7,
6-Amino-3-methylbenzo[d]thiazol-2(3H)-one,
3-methyl-6-amino-2(3H)-benzothiazolone,
6-amino-3-methyl-1,3-benzothiazol-2(3H)-one,
6-AMINO-3-METHYL-2,3-DIHYDRO-1,3-BENZOTHIAZOL-2-ONE,
Oprea1_024205,
SCHEMBL3035789,
CHEMBL4072960,
STDGBEKVJJKVNB-UHFFFAOYSA-N,
MFCD00848405,
STL507403,
6-amino-3-methyl-2(3H)-benzothiazolone,
CS-0060742,
6-amino-3-methyl-benzothiazol-2-one,
CID10442296,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.225g/mol |
| Monoisotopic Mass | 180.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number