3-Hydroxy-3-methyl-2,3-dihydrobenzothiophene 1,1-Dioxide - CAS 62521-48-6
Catalog: |
BB031634 |
Product Name: |
3-Hydroxy-3-methyl-2,3-dihydrobenzothiophene 1,1-Dioxide |
CAS: |
62521-48-6 |
Synonyms: |
3-methyl-1,1-dioxo-2H-1-benzothiophen-3-ol; 3-methyl-1,1-dioxo-2H-1-benzothiophen-3-ol |
IUPAC Name: | 3-methyl-1,1-dioxo-2H-1-benzothiophen-3-ol |
Description: | 3-Hydroxy-3-methyl-2,3-dihydrobenzothiophene 1,1-Dioxide (CAS# 62521-48-6 ) is a useful research chemical. |
Molecular Weight: | 198.24 |
Molecular Formula: | C9H10O3S |
Canonical SMILES: | CC1(CS(=O)(=O)C2=CC=CC=C21)O |
InChI: | InChI=1S/C9H10O3S/c1-9(10)6-13(11,12)8-5-3-2-4-7(8)9/h2-5,10H,6H2,1H3 |
InChI Key: | FFPSODOPRLCEAD-UHFFFAOYSA-N |
LogP: | 1.76220 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.03506535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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