3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole - CAS 62882-99-9
Catalog: |
BB073043 |
Product Name: |
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole |
CAS: |
62882-99-9 |
Synonyms: |
Tinazoline; Tinazoline [INN]; 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole; 3-(2-Imidazolin-2-ylthio)indole; Tinazolina; Tinazolinum; Tinazolinum [INN-Latin] |
IUPAC Name: | 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole |
Molecular Weight: | 217.29 |
Molecular Formula: | C11H11N3S |
Canonical SMILES: | C1CN=C(N1)SC2=CNC3=CC=CC=C32 |
InChI: | InChI=1S/C11H11N3S/c1-2-4-9-8(3-1)10(7-14-9)15-11-12-5-6-13-11/h1-4,7,14H,5-6H2,(H,12,13) |
InChI Key: | JENBDJGHNIOHAJ-UHFFFAOYSA-N |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.06736854 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.06736854 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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