1-Ethynyl-2-(methylsulfonyl)benzene - CAS 1019928-25-6
Catalog: |
BB000725 |
Product Name: |
1-Ethynyl-2-(methylsulfonyl)benzene |
CAS: |
1019928-25-6 |
Synonyms: |
1-ethynyl-2-methylsulfonylbenzene; 1-ethynyl-2-methylsulfonylbenzene |
IUPAC Name: | 1-ethynyl-2-methylsulfonylbenzene |
Description: | 1-Ethynyl-2-(methylsulfonyl)benzene (CAS# 1019928-25-6 ) is a useful research chemical. |
Molecular Weight: | 180.22 |
Molecular Formula: | C9H8O2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1C#C |
InChI: | InChI=1S/C9H8O2S/c1-3-8-6-4-5-7-9(8)12(2,10)11/h1,4-7H,2H3 |
InChI Key: | WMGPXZHQPZJXOZ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.15220 |
Publication Number | Title | Priority Date |
AU-2018216957-A1 | Aryl hydrocarbon receptor (AhR) modulator compounds | 20170201 |
BR-112019015716-A2 | COMPOUND, AND, PHARMACEUTICAL COMPOSITION. | 20170201 |
CN-110248940-A | Aryl hydrocarbon receptor (AhR) adjusts immunomodulator compounds | 20170201 |
EP-3577112-A1 | Aryl hydrocarbon receptor (ahr) modulator compounds | 20170201 |
JP-2020506228-A | Aryl hydrocarbon receptor (AhR) modulator compounds | 20170201 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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