2-Mercapto-4(3H)-quinazolinone - CAS 13906-09-7
Catalog: |
BB008881 |
Product Name: |
2-Mercapto-4(3H)-quinazolinone |
CAS: |
13906-09-7 |
Synonyms: |
2-sulfanylidene-1H-quinazolin-4-one |
IUPAC Name: | 2-sulfanylidene-1H-quinazolin-4-one |
Description: | 2-Mercapto-4(3H)-quinazolinone (CAS# 13906-09-7) is a useful research chemical. |
Molecular Weight: | 178.21 |
Molecular Formula: | C8H6N2OS |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NC(=S)N2 |
InChI: | InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
InChI Key: | PUPFOFVEHDNUJU-UHFFFAOYSA-N |
Boiling Point: | 330.5 °C at 760 mmHg |
Density: | 1.46 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00006885 |
LogP: | 1.21180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021063999-A | Colored photosensitive resin composition | 20210104 |
WO-2021188728-A1 | Selective non-cyclic nucleotide activators for the camp sensor epac1 | 20200317 |
JP-2020041154-A | Colored curable resin composition, color filter, and display device including the same | 20191121 |
JP-2020186373-A | Color curable resin composition | 20190508 |
WO-2020226099-A1 | Colored curable resin composition | 20190508 |
PMID | Publication Date | Title | Journal |
19101196 | 20090401 | Characterization and electrochemical studies of Mn(II), Co(II), Ni(II) and Cu(II) complexes with 2-mercapto-3-substituted-quinazolin-4-one and 1,10-phenanthroline or ethylenediamine as ligands | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
18790691 | 20081101 | Structural studies of human purine nucleoside phosphorylase: towards a new specific empirical scoring function | Archives of biochemistry and biophysics |
15560924 | 20041029 | MS and NMR investigation of bioactive quinazolones | Journal of biochemical and biophysical methods |
12014675 | 20020301 | Reactive oxygen scavenger effect of pyrimidines, benzotriazoles and related compounds | Anticancer research |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.02008399 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.02008399 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 73.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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