| CAS Number | 154010-96-5 |
| Catalog Number | AG00ADZD(AGN-PC-0KZSTF) |
| Chemical Name | 3-AZETIDINOL, 1-[(4-METHYLPHENYL)SULFONYL]- |
| IUPAC Name | 1-(4-methylphenyl)sulfonylazetidin-3-ol |
| InChI | InChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(12)7-11/h2-5,9,12H,6-7H2,1H3 |
| InChI Key | GDXKSMNNDKYNMK-UHFFFAOYSA-N |
| MDL Number | MFCD00963433 |
| Molecular Formula | C10H13NO3S |
| Molecular Weight | 227.2801 |
| SMILES | OC1CN(S(=O)(C2=CC=C(C)C=C2)=O)C1 |
| Synonyms | 1-TOSYLAZETIDIN-3-OL,
154010-96-5,
1-(4-METHYLBENZENESULFONYL)AZETIDIN-3-OL,
AC1MXORD,
1-(4-methylphenyl)sulfonylazetidin-3-ol,
1-Tosyl-3-azetidinol,
MLS001242793,
CHEMBL1590791,
SCHEMBL19011448,
HMS2215L21,
HMS3337G19,
ZINC5415781,
AKOS012406852,
MCULE-4202062327,
PB30673,
SMR000841339,
CS-0057589,
Q-1609,
CID3768999,
1-[(4-Methylphenyl)sulfonyl]-3-azetidinol, 95% - 1G 1g,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.278g/mol |
| Monoisotopic Mass | 227.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number