| CAS Number | 1018656-49-9 |
| Catalog Number | AG00J2M2 |
| Chemical Name | 2-(1,1-dioxidotetrahydro-3-thienyl)ethanesulfonyl chloride |
| IUPAC Name | 2-(1,1-dioxothiolan-3-yl)ethanesulfonyl chloride |
| InChI | InChI=1S/C6H11ClO4S2/c7-13(10,11)4-2-6-1-3-12(8,9)5-6/h6H,1-5H2 |
| InChI Key | RZKLKQRKAJQACM-UHFFFAOYSA-N |
| MDL Number | MFCD10035252 |
| Molecular Formula | C6H11ClO4S2 |
| Molecular Weight | 246.7321 |
| SMILES | S1(CCC(CCS(Cl)(=O)=O)C1)(=O)=O |
| Synonyms | 2-(1,1-dioxidotetrahydro-3-thienyl)ethanesulfonyl chloride,
1018656-49-9,
MFCD10035252,
SBB085141,
AKOS005260006,
Y-6308,
3-[2-(chlorosulfonyl)ethyl]thiolane-1,1-dione,
2-(1,1-dioxo-1lambda-thiolan-3-yl)ethane-1-sulfonyl chloride,
2-(1,1-Dioxidotetrahydro-3-thienyl)ethanesulfonyl chloride, AldrichCPR,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.72g/mol |
| Monoisotopic Mass | 245.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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