| CAS Number | 1193387-51-7 |
| Catalog Number | AG019W5R |
| Chemical Name | 4-methyl-2-(piperazine-1-sulfonyl)phenol |
| IUPAC Name | 4-methyl-2-piperazin-1-ylsulfonylphenol |
| InChI | InChI=1S/C11H16N2O3S/c1-9-2-3-10(14)11(8-9)17(15,16)13-6-4-12-5-7-13/h2-3,8,12,14H,4-7H2,1H3 |
| InChI Key | VCSVHRIIJXZSQR-UHFFFAOYSA-N |
| MDL Number | MFCD12912876 |
| Molecular Formula | C11H16N2O3S |
| Molecular Weight | 256.3213 |
| SMILES | CC1=CC(S(N2CCNCC2)(=O)=O)=C(O)C=C1 |
| Synonyms | 4-methyl-2-(piperazine-1-sulfonyl)phenol,
1193387-51-7,
AC1Q2GUS,
CTK7J9582,
ZINC36379667,
AKOS034572823,
MCULE-7730268450,
NE52960,
EN300-50625,
Z752370816,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.32g/mol |
| Monoisotopic Mass | 256.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number