6-(Methylthio)-1-indanone - CAS 138485-82-2
Catalog: |
BB008765 |
Product Name: |
6-(Methylthio)-1-indanone |
CAS: |
138485-82-2 |
Synonyms: |
6-methylsulfanyl-2,3-dihydroinden-1-one |
IUPAC Name: | 6-methylsulfanyl-2,3-dihydroinden-1-one |
Description: | 6-(Methylthio)-1-indanone (CAS# 138485-82-2 ) is a useful research chemical. |
Molecular Weight: | 178.25 |
Molecular Formula: | C10H10OS |
Canonical SMILES: | CSC1=CC2=C(CCC2=O)C=C1 |
InChI: | InChI=1S/C10H10OS/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3 |
InChI Key: | NHJZHQRRHNSFCH-UHFFFAOYSA-N |
Boiling Point: | 308.2 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.2 g/cm3 |
Appearance: | White to orange powder, crystals or crystalline powder and/or chunks |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 2.53740 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2342178-B1 | Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof | 20080902 |
US-2011201590-A1 | Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof | 20080902 |
US-2014349986-A1 | Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof | 20080902 |
US-8822449-B2 | Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof | 20080902 |
US-9550788-B2 | Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof | 20080902 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.04523611 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.04523611 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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