4-(4-(2-Thienyl)pyrimidin-2-ylthio)phenylamine - CAS 1245806-62-5
Catalog: |
BB053299 |
Product Name: |
4-(4-(2-Thienyl)pyrimidin-2-ylthio)phenylamine |
CAS: |
1245806-62-5 |
Synonyms: |
4-((4-(Thiophen-2-yl)pyrimidin-2-yl)thio)aniline; 4-[(4-thien-2-ylpyrimidin-2-yl)thio]aniline |
IUPAC Name: | 4-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylaniline |
Molecular Weight: | 285.4 |
Molecular Formula: | C14H11N3S2 |
Canonical SMILES: | C1=CSC(=C1)C2=NC(=NC=C2)SC3=CC=C(C=C3)N |
InChI: | InChI=1S/C14H11N3S2/c15-10-3-5-11(6-4-10)19-14-16-8-7-12(17-14)13-2-1-9-18-13/h1-9H,15H2 |
InChI Key: | NCRJZGREZRXKDY-UHFFFAOYSA-N |
Boiling Point: | 550.8±60.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.03943971 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.03943971 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 105 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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