10-(4-Methoxyphenyl)-10H-phenothiazine - CAS 58736-69-9
Catalog: |
BB060124 |
Product Name: |
10-(4-Methoxyphenyl)-10H-phenothiazine |
CAS: |
58736-69-9 |
Synonyms: |
MOPP |
IUPAC Name: | 10-(4-methoxyphenyl)phenothiazine |
Description: | 10-(4-Methoxyphenyl)-10H-phenothiazine is used as a reagent in the synthesis of phenothiazine-based dyes for efficient dye-sensitized solar cells (DSSCs). |
Molecular Weight: | 305.39 |
Molecular Formula: | C19H15NOS |
Canonical SMILES: | COC1=CC=C(C=C1)N2C3=CC=CC=C3SC4=CC=CC=C42 |
InChI: | InChI=1S/C19H15NOS/c1-21-15-12-10-14(11-13-15)20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13H,1H3 |
InChI Key: | XABNHQJAAXYGOW-UHFFFAOYSA-N |
References: | Kim, S.H., et al. Dyes Pigments, 97, 262 (2013); Iqbal, Z., et al. Dyes Pigments, 96, 722 (2013). |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.08743528 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.08743528 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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