| CAS Number | 1728-94-5 |
| Catalog Number | AG00B4BD(AGN-PC-0WG3WL) |
| Chemical Name | 1-(Chloromethylsulfonyl)ethane |
| IUPAC Name | 1-(chloromethylsulfonyl)ethane |
| InChI | InChI=1S/C3H7ClO2S/c1-2-7(5,6)3-4/h2-3H2,1H3 |
| InChI Key | QYCHOJSGDMANGO-UHFFFAOYSA-N |
| MDL Number | MFCD19232354 |
| Molecular Formula | C3H7ClO2S |
| Molecular Weight | 142.6045 |
| SMILES | CCS(=O)(CCl)=O |
| Synonyms | (Chloromethyl)sulfonylethane,
1728-94-5,
1-(chloromethylsulfonyl)ethane,
chloromethanesulfonylethane,
Chloromethyl ethyl sulfone,
SCHEMBL1873868,
Methane, chloro(ethylsulfonyl)-,
MFCD19232354,
ZINC95740515,
AKOS006384879,
CS-0035589,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.597g/mol |
| Monoisotopic Mass | 141.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number