| CAS Number | 20688-40-8 |
| Catalog Number | AG002IR1(AGN-PC-0O7MHG) |
| Chemical Name | trans-3-Bromo-4-hydroxytetrahydrothiophene 1,1-dioxide |
| IUPAC Name | (3S,4R)-4-bromo-1,1-dioxothiolan-3-ol |
| InChI | InChI=1S/C4H7BrO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2H2/t3-,4-/m0/s1 |
| InChI Key | JUROXLRSVVHUOG-IMJSIDKUSA-N |
| MDL Number | MFCD08706466 |
| Molecular Formula | C4H7BrO3S |
| Molecular Weight | 215.0656 |
| SMILES | O[C@H]([C@@H](Br)C1)CS1(=O)=O |
| Synonyms | 20688-40-8,
trans-3-Bromo-4-hydroxytetrahydrothiophene 1,1-dioxide,
SCHEMBL634410,
ZINC1083854,
AKOS015969193,
3alpha-Hydroxy-4beta-bromotetrahydrothiophene 1,1-dioxide,
AC1LOTCK,
NSC151000,
CID1269963,
trans-4-Bromo-1,1-dioxo-tetrahydrothiphen-3-ol,
FS001005,
(3S,4R)-4-bromo-1,1-dioxothiolan-3-ol,
Trans-4-bromo-1,1-dioxo-tetrahydrothiophen-3-ol,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.92993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.07g/mol |
| Monoisotopic Mass | 213.92993g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number