| CAS Number | 1183809-08-6 |
| Catalog Number | AG01A8RS(AGN-PC-0WO6EJ) |
| Chemical Name | 6-propyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one |
| IUPAC Name | 6-propyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one |
| InChI | InChI=1S/C10H15NOS/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h7H,2-6H2,1H3,(H,11,12) |
| InChI Key | XWYBQVCMRZXNOH-UHFFFAOYSA-N |
| MDL Number | MFCD12806028 |
| Molecular Formula | C10H15NOS |
| Molecular Weight | 197.2972 |
| SMILES | CCCC1CC2=C(NC(S2)=O)CC1 |
| Synonyms | 6-propyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one,
1183809-08-6,
AC1Q2V4S,
AKOS010139182,
MCULE-6381128741,
NE22955,
EN300-62398,
Z992717280,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.296g/mol |
| Monoisotopic Mass | 197.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number