| CAS Number | 1329616-16-1 |
| Catalog Number | AG01CC12(AGN-PC-0WH2EZ) |
| Chemical Name | Benzisothiazolinone-13C5 |
| IUPAC Name | 1,2-benzothiazol-3-one |
| InChI | InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)/i1+1,2+1,3+1,4+1,6+1 |
| InChI Key | DMSMPAJRVJJAGA-ZFKNMOOESA-N |
| MDL Number | MFCD31808021 |
| Molecular Formula | C7H5NOS |
| Molecular Weight | 156.1490 |
| SMILES | O=C1NS[13C]2=[13CH][13CH]=[13CH][13CH]=C12 |
| Synonyms | Benzoisothiazol-3-one-13C6,
Canguard BIT,
Proxel BD,
Topcide 600,
Bioban BIT 20DPG,
Canguard BIT 20DPG,
Benzocil-13C6,
Acticide BIT-13C6,
Benzisothiazolone-13C6,
Apizas AP-DS-13C6,
Bestcide 200K-13C6,
BIT-13C6,
3-Hydroxy-1,2-benzisothiazole-13C6,
Benzo[d]isothiazol-3(2H)-one-13C6,
1,2-Benzisothiazol-3(2H)-one-13C6,
1329616-16-1,
1,2-benzothiazol-3-one,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 5 |
| Molecular Weight | 156.145g/mol |
| Monoisotopic Mass | 156.026g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number