| CAS Number | 4433-49-2 |
| Catalog Number | AG00DJDV(AGN-PC-00NQZ9) |
| Chemical Name | 4,5,6,7-tetrahydro-1,3-benzothiazole |
| IUPAC Name | 4,5,6,7-tetrahydro-1,3-benzothiazole |
| InChI | InChI=1S/C7H9NS/c1-2-4-7-6(3-1)8-5-9-7/h5H,1-4H2 |
| InChI Key | RMFVVPBBEDMZQI-UHFFFAOYSA-N |
| MDL Number | MFCD13179627 |
| Molecular Formula | C7H9NS |
| Molecular Weight | 139.2181 |
| SMILES | C1CC2=C(SC=N2)CC1 |
| Synonyms | 4,5,6,7-tetrahydro-1,3-benzothiazole,
4433-49-2,
4,5,6,7-tetrahydrobenzo[d]thiazole,
4,5,6,7-tetrahydrobenzothiazole,
SCHEMBL145691,
RMFVVPBBEDMZQI-UHFFFAOYSA-N,
ZINC34136080,
AKOS023093426,
NS-01081,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.216g/mol |
| Monoisotopic Mass | 139.046g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number