4-Nitrothiophenol - CAS 1849-36-1
Catalog: |
BB014168 |
Product Name: |
4-Nitrothiophenol |
CAS: |
1849-36-1 |
Synonyms: |
4-nitrobenzenethiol |
IUPAC Name: | 4-nitrobenzenethiol |
Description: | 4-Nitrothiophenol was used in the preparation of several organic compounds including that of indolyl-3-ethanone-α-thioethers which are non-toxic and display antimalarial activity. Also used in the synthesis of sulfonylethyl-containing phosphotriesters of 3'-azido-3'-deoxythymidine which may be potential anticancer prodrugs. |
Molecular Weight: | 155.17 |
Molecular Formula: | C6H5NO2S |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])S |
InChI: | InChI=1S/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H |
InChI Key: | AXBVSRMHOPMXBA-UHFFFAOYSA-N |
Boiling Point: | 281.9 ℃ at 760 mmHg |
Density: | 1.362 g/cm3 |
Appearance: | Solid with a stench |
MDL: | MFCD00007343 |
LogP: | 2.40670 |
GHS Hazard Statement: | H315 (97.67%): 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 |
CN-113426393-A | Cheap and simple method for enhancing plasmon-driven photoreduction reaction at interface | 20210618 |
CN-113310967-A | Method and device for monitoring pollutants in water for long time based on SERS technology | 20210608 |
CN-113189181-A | Single-cell protein quantitative analysis method based on electrophoresis technology | 20210416 |
CN-112504965-A | Preparation method of SERS substrate | 20210204 |
CN-112504965-B | Preparation method of SERS substrate | 20210204 |
PMID | Publication Date | Title | Journal |
22777813 | 20120924 | A novel application of plasmonics: plasmon-driven surface-catalyzed reactions | Small (Weinheim an der Bergstrasse, Germany) |
22902959 | 20120901 | Catalytic processes monitored at the nanoscale with tip-enhanced Raman spectroscopy | Nature nanotechnology |
22842646 | 20120824 | In situ Raman scattering study on a controllable plasmon-driven surface catalysis reaction on Ag nanoparticle arrays | Nanotechnology |
22738214 | 20120801 | Enhanced Raman spectroscopy of molecules adsorbed on carbon-doped TiO₂ obtained from titanium carbide: a visible-light-assisted renewable substrate | ACS applied materials & interfaces |
22523987 | 20120101 | Monolayer detection on flat metal surface via surface enhanced Raman spectroscopy and sum frequency generation spectroscopy | Journal of nanoscience and nanotechnology |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.00409958 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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