| CAS Number | 55750-94-2 |
| Catalog Number | AG019WWA(AGN-PC-0L8L0F) |
| Chemical Name | 1-(2-chloroethanesulfonyl)propane |
| IUPAC Name | 1-(2-chloroethylsulfonyl)propane |
| InChI | InChI=1S/C5H11ClO2S/c1-2-4-9(7,8)5-3-6/h2-5H2,1H3 |
| InChI Key | KPISBZGMRZHHIG-UHFFFAOYSA-N |
| MDL Number | MFCD01571823 |
| Molecular Formula | C5H11ClO2S |
| Molecular Weight | 170.6576 |
| SMILES | CCCS(CCCl)(=O)=O |
| Synonyms | 1-(2-chloroethanesulfonyl)propane,
55750-94-2,
1-[(2-chloroethyl)sulfonyl]propane,
1-[(2-chloroethane)sulfonyl]propane,
AC1N80GT,
AC1Q2YJ3,
SCHEMBL10851073,
1-(2-chloroethylsulfonyl)propane,
2-chloro-1-(propylsulfonyl)ethane,
ZINC4524370,
STK675276,
AKOS005593661,
MCULE-5717074276,
NE20007,
ST4045609,
EU-0085329,
EN300-53324,
F0907-4175,
A1991/0083706,
ZINC04524370,
CID4287863,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.651g/mol |
| Monoisotopic Mass | 170.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number