2-Hydroxyethanesulfonic Acid - CAS 107-36-8
Catalog: |
BB002065 |
Product Name: |
2-Hydroxyethanesulfonic Acid |
CAS: |
107-36-8 |
Synonyms: |
2-hydroxyethanesulfonic acid; 2-hydroxyethanesulfonic acid |
IUPAC Name: | 2-hydroxyethanesulfonic acid |
Description: | 2-Hydroxyethanesulfonic Acid (CAS# 107-36-8) is a reactant in the synthesis of 4-substituted-2,3,5,6-tetrafluorobenezenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. |
Molecular Weight: | 126.13 |
Molecular Formula: | C2H6O4S |
Canonical SMILES: | C(CS(=O)(=O)O)O |
InChI: | InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) |
InChI Key: | SUMDYPCJJOFFON-UHFFFAOYSA-N |
Boiling Point: | 100 ℃ |
Melting Point: | < 25 °C |
Density: | 1.625 g/cm3 |
Solubility: | 1000 mg/mL |
Appearance: | Solid |
LogP: | -0.39530 |
GHS Hazard Statement: | H314 (93.55%): 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 |
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PMID | Publication Date | Title | Journal |
22954391 | 20121001 | Radiation metabolomics. 5. Identification of urinary biomarkers of ionizing radiation exposure in nonhuman primates by mass spectrometry-based metabolomics | Radiation research |
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22316246 | 20120208 | Genome sequence of Desulfitobacterium hafniense DCB-2, a Gram-positive anaerobe capable of dehalogenation and metal reduction | BMC microbiology |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.99867984 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.99867984 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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