1-Cyclopropyl-4-isothiocyanato-naphthalene - CAS 878671-95-5
Catalog: |
BB038661 |
Product Name: |
1-Cyclopropyl-4-isothiocyanato-naphthalene |
CAS: |
878671-95-5 |
Synonyms: |
Naphthalene, 1-cyclopropyl-4-isothiocyanato-; Lesinurad Impurity 17 |
IUPAC Name: | 1-cyclopropyl-4-isothiocyanatonaphthalene |
Description: | 1-Cyclopropyl-4-isothiocyanatonaphthalene is an intermediate of Lesinurad, a HEK293 cell-based inhibitor. |
Molecular Weight: | 225.31 |
Molecular Formula: | C14H11NS |
Canonical SMILES: | C1CC1C2=CC=C(C3=CC=CC=C23)N=C=S |
InChI: | InChI=1S/C14H11NS/c16-9-15-14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6H2 |
InChI Key: | CCPTWMNSFHCZPB-UHFFFAOYSA-N |
Boiling Point: | 394.6±21.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.21 g/cm3 |
Appearance: | Powder |
Storage: | Store at 2-8°C |
LogP: | 4.45150 |
Publication Number | Title | Priority Date |
CN-113336769-A | Thienopyrimidone acylsulfonamide derivative and preparation method and application thereof | 20210430 |
CN-112778223-A | Preparation method of Raschindde oxidation impurities | 20210125 |
CN-111763218-A | Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof | 20200714 |
CN-111763218-B | Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof | 20200714 |
CN-111153862-A | Raisinard refining method | 20200119 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.06122053 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.06122053 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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