4-(4-Cyclopropyl-1-naphthyl)-1,2,4-triazole-5(4H)-thione - CAS 1533519-84-4
Catalog: |
BB010883 |
Product Name: |
4-(4-Cyclopropyl-1-naphthyl)-1,2,4-triazole-5(4H)-thione |
CAS: |
1533519-84-4 |
Synonyms: |
4-(4-Cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol; 4-(4-cyclopropyl-1-naphthalenyl)-1H-1,2,4-triazole-5-thione; 4-(4-Cyclopropyl-1-naphthalenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione |
IUPAC Name: | 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione |
Description: | 4-(4-Cyclopropyl-1-naphthyl)-1,2,4-triazole-5(4H)-thione is an intermediate of Lesinurad, a HEK293 cell-based inhibitor. |
Molecular Weight: | 267.35 |
Molecular Formula: | C15H13N3S |
Canonical SMILES: | C1CC1C2=CC=C(C3=CC=CC=C23)N4C=NNC4=S |
InChI: | InChI=1S/C15H13N3S/c19-15-17-16-9-18(15)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-10H,5-6H2,(H,17,19) |
InChI Key: | UFYFJMMSOUURSF-UHFFFAOYSA-N |
Boiling Point: | 435.2±38.0°C (Predicted) |
Purity: | >95% |
Density: | 1.41±0.1 g/cm3 (Predicted) |
Appearance: | Powder |
Storage: | Store at 2-8°C |
LogP: | 3.58660 |
GHS Hazard Statement: | H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778223-A | Preparation method of Raschindde oxidation impurities | 20210125 |
CN-111153862-A | Raisinard refining method | 20200119 |
CN-111153862-B | Raisinard refining method | 20200119 |
CN-111116501-A | Synthesis method of Ravinard intermediate capable of effectively reducing impurity content | 20191230 |
CN-111116501-B | Synthesis method of Ravinard intermediate capable of effectively reducing impurity content | 20191230 |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.08301860 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.08301860 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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