7-(Methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine - CAS 1183512-25-5
Catalog: |
BB072815 |
Product Name: |
7-(Methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine |
CAS: |
1183512-25-5 |
Synonyms: |
7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine; 6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine |
IUPAC Name: | 6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine |
Molecular Weight: | 197.25 |
Molecular Formula: | C9H11NO2S |
Canonical SMILES: | CSC1=CC2=C(C=C1N)OCCO2 |
InChI: | InChI=1S/C9H11NO2S/c1-13-9-5-8-7(4-6(9)10)11-2-3-12-8/h4-5H,2-3,10H2,1H3 |
InChI Key: | BOXXRJVACCXEKH-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.05104977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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