| CAS Number | 36234-66-9 |
| Catalog Number | AG00CKFV(AGN-PC-0WO4TS) |
| Chemical Name | 2-aMino-6,7-dihydro-5H-benzothiazol-4-one |
| IUPAC Name | 2-amino-6,7-dihydro-5H-1,3-benzothiazol-4-one |
| InChI | InChI=1S/C7H8N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3H2,(H2,8,9) |
| InChI Key | AYSCUQOLIIAARX-UHFFFAOYSA-N |
| MDL Number | MFCD21117211 |
| Molecular Formula | C7H8N2OS |
| Molecular Weight | 168.2162 |
| SMILES | O=C1CCCC2=C1N=C(N)S2 |
| Synonyms | 36234-66-9,
2-amino-6,7-dihydrobenzo[d]thiazol-4(5H)-one,
2-amino-6,7-dihydro-5H-benzothiazol-4-one,
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-one,
SCHEMBL6092821,
AYSCUQOLIIAARX-UHFFFAOYSA-N,
MFCD21117211,
ZINC83117021,
AKOS014306040,
AK541648,
DS-19119,
2-amino-oxo-4,5,6,7-tetrahydrobenzothiazole,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.214g/mol |
| Monoisotopic Mass | 168.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number