4,5-Dichlorothiophene-2-sulfonyl chloride - CAS 126714-85-0
Catalog: |
BB006641 |
Product Name: |
4,5-Dichlorothiophene-2-sulfonyl chloride |
CAS: |
126714-85-0 |
Synonyms: |
4,5-dichlorothiophene-2-sulfonyl chloride |
IUPAC Name: | 4,5-dichlorothiophene-2-sulfonyl chloride |
Description: | 4,5-Dichlorothiophene-2-sulfonyl chloride (CAS# 126714-85-0 ) is a useful research chemical. |
Molecular Weight: | 251.54 |
Molecular Formula: | C4HCl3O2S2 |
Canonical SMILES: | C1=C(SC(=C1Cl)Cl)S(=O)(=O)Cl |
InChI: | InChI=1S/C4HCl3O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H |
InChI Key: | IVTWLTRKVRJPNG-UHFFFAOYSA-N |
Boiling Point: | 338.7 °C at 760 mmHg |
Melting Point: | 54-58 °C |
Purity: | 95 % |
Density: | 1.803 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00052092 |
LogP: | 4.06320 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2016236187-A1 | Inhibitors of Pseudomonas aeruginosa LecB | 20150324 |
AU-2016236187-B2 | Inhibitors of Pseudomonas aeruginosa LecB | 20150324 |
CA-2980406-A1 | Inhibitors of pseudomonas aeruginosa lecb | 20150324 |
EP-3274341-A1 | Inhibitors of pseudomonas aeruginosa lecb | 20150324 |
JP-2018510908-A | Inhibitor of Pseudomonas aeruginosa LecB | 20150324 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.848355 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.848355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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