4-(Naphthalen-2-yl)pyrimidine-2-thiol - CAS 832740-99-5
Catalog: |
BB049463 |
Product Name: |
4-(Naphthalen-2-yl)pyrimidine-2-thiol |
CAS: |
832740-99-5 |
Synonyms: |
4-(2-naphthyl)pyrimidine-2(1H)-thione; 4-(2-naphthyl)pyrimidine-2-thiol; 4-Naphthalen-2-yl-pyrimidine-2-thiol |
IUPAC Name: | 6-naphthalen-2-yl-1H-pyrimidine-2-thione |
Description: | 4-(Naphthalen-2-yl)pyrimidine-2-thiol (CAS# 832740-99-5 ) is a useful research chemical. |
Molecular Weight: | 238.31 |
Molecular Formula: | C14H10N2S |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)C3=CC=NC(=S)N3 |
InChI: | InChI=1S/C14H10N2S/c17-14-15-8-7-13(16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,15,16,17) |
InChI Key: | LGLGIYOFLYYPPA-UHFFFAOYSA-N |
Boiling Point: | 432.2±48.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0564695 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0564695 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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