| CAS Number | 128147-27-3 |
| Catalog Number | AG009YKX(AGN-PC-0WO3WQ) |
| Chemical Name | 1-Chloro-3-(propane-2-sulfonyl)propane |
| IUPAC Name | 1-chloro-3-propan-2-ylsulfonylpropane |
| InChI | InChI=1S/C6H13ClO2S/c1-6(2)10(8,9)5-3-4-7/h6H,3-5H2,1-2H3 |
| InChI Key | YDZXLBAMTMNQMM-UHFFFAOYSA-N |
| MDL Number | MFCD11935041 |
| Molecular Formula | C6H13ClO2S |
| Molecular Weight | 184.6842 |
| SMILES | CC(S(CCCCl)(=O)=O)C |
| Synonyms | 1-chloro-3-(propane-2-sulfonyl)propane,
128147-27-3,
3-chloropropyl 1-methylethyl sulfone,
SCHEMBL1148262,
ZINC32007803,
AKOS010095140,
NE22307,
RP24502,
Propane, 1-chloro-3-[(1-methylethyl)sulfonyl]-,
1-chloro-3-propan-2-ylsulfonyl-propane,
CID10352379,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.678g/mol |
| Monoisotopic Mass | 184.032g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number