1-(Methylsulfonyl)benzene-4-D - CAS 2122800-11-5
Catalog: |
BB016713 |
Product Name: |
1-(Methylsulfonyl)benzene-4-D |
CAS: |
2122800-11-5 |
Synonyms: |
methylsulfonylbenzene; methylsulfonylbenzene |
IUPAC Name: | methylsulfonylbenzene |
Description: | 1-(Methylsulfonyl)benzene-4-D (CAS# 2122800-11-5 ) is a useful research chemical. |
Molecular Weight: | 157.21 |
Molecular Formula: | C7H7O2SD |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3 |
InChI Key: | JCDWETOKTFWTHA-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (95.74%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021179554-A1 | Onium salt compound, chemically amplified resist composition and patterning process | 20191212 |
WO-2021111185-A1 | Compositions and methods related to molecular conjugation | 20191202 |
WO-2021107872-A1 | Composites, methods and uses thereof | 20191126 |
WO-2021097324-A1 | Covalent organic frameworks and applications as photocatalysts | 20191115 |
US-2021095183-A1 | Additives for polymer emulsion stabilization | 20190930 |
PMID | Publication Date | Title | Journal |
22904989 | 20120801 | (2R,3S,4R)-3,4-Isopropyl-idenedi-oxy-2-(phenyl-sulfonyl-meth-yl)pyrrolidin-1-ol | Acta crystallographica. Section E, Structure reports online |
22259451 | 20120101 | (E)-4-Chloro-N-[4-(methyl-sulfon-yl)benzyl-idene]aniline | Acta crystallographica. Section E, Structure reports online |
21886896 | 20110701 | Design, synthesis and biological evaluation of new 5,5-diarylhydantoin derivatives as selective cyclooxygenase-2 inhibitors | Scientia pharmaceutica |
21562587 | 20110512 | In vivo and in vitro assessment of pathways involved in contrast media-induced renal cells apoptosis | Cell death & disease |
21754431 | 20110501 | (3R,4S)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl-3,4-dihydro-2H-pyrrole 1-oxide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.02450067 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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