3-(Bromomethyl)-1lambda6-thiolane-1,1-dione - CAS 321979-37-7
Catalog: |
BB070833 |
Product Name: |
3-(Bromomethyl)-1lambda6-thiolane-1,1-dione |
CAS: |
321979-37-7 |
Synonyms: |
3-bromomethyltetrahydrothiophene 1,1-dioxide; 3-(Bromomethyl)tetrahydrothiophene 1,1-dioxide; 3-(bromomethyl)-1lambda6-thiolane-1,1-dione; 3-(bromomethyl)thiolane 1,1-dioxide; 3-(bromomethyl)-1|E?-thiolane-1,1-dione |
IUPAC Name: | 3-(bromomethyl)thiolane 1,1-dioxide |
Molecular Weight: | 213.09 |
Molecular Formula: | C5H9O2SBr |
Canonical SMILES: | C1CS(=O)(=O)CC1CBr |
InChI: | InChI=1S/C5H9BrO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-4H2 |
InChI Key: | WIWBGPFHCBCIHT-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.95066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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