4-Aminothiophenol - CAS 1193-02-8
Catalog: |
BB004459 |
Product Name: |
4-Aminothiophenol |
CAS: |
1193-02-8 |
Synonyms: |
Benzenethiol, 4-amino-; 4-Aminobenzenethiol; Benzenethiol, p-amino-; 4-Mercaptoaniline; 4-Mercaptobenzenamine; p-Aminobenzenethiol; p-Aminophenyl mercaptan; p-Aminophenylthiol; p-Aminothiophenol; p-Mercaptoaniline |
IUPAC Name: | 4-aminobenzenethiol |
Description: | 4-Aminothiophenol is a useful synthetic intermediate used to prepare CCR5 antagonists as anti-HIV-1 agents. It can also be used to synthesize functionalized coumarins as acetylcholinesterase inhibitors. |
Molecular Weight: | 125.19 |
Molecular Formula: | C6H7NS |
Canonical SMILES: | C1=CC(=CC=C1N)S |
InChI: | InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 |
InChI Key: | WCDSVWRUXWCYFN-UHFFFAOYSA-N |
Boiling Point: | 143°C |
Melting Point: | 46°C |
Purity: | 95% |
Density: | 1.200±0.06 g/cm3 |
Appearance: | Off-white to Brown Crystals, Flakes or Crystalline Mass Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00007880 |
LogP: | 2.13870 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021188890-A1 | Selective valorization of biomass sugars | 20191219 |
WO-2021123372-A1 | Novel compounds and their use | 20191219 |
WO-2021127642-A1 | Selective valorization of biomass sugars | 20191219 |
WO-2021117723-A1 | Block copolymer, resin composition, stretch conductor, electronic device, and pressure-sensitive adhesive film | 20191213 |
WO-2021112189-A1 | Curable resin composition, cured film, laminate, method for producing cured film, semiconductor device, and resin | 20191205 |
PMID | Publication Date | Title | Journal |
22921410 | 20121115 | A displacement principle for mercury detection by optical waveguide and surface enhanced Raman spectroscopy | Journal of colloid and interface science |
22925915 | 20121001 | Temperature effect on the SERS signature of p-aminothiophenol: a new evidence for the production of p,p'-dimercaptoazobenzene on metallic nanostructures | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22777813 | 20120924 | A novel application of plasmonics: plasmon-driven surface-catalyzed reactions | Small (Weinheim an der Bergstrasse, Germany) |
22775541 | 20120828 | Photoreduction of SERS-active metallic nanostructures on chemically patterned ferroelectric crystals | ACS nano |
22741157 | 20120821 | Selective detection of aqueous nitrite ions by surface-enhanced Raman scattering of 4-aminobenzenethiol on Au | The Analyst |
Complexity: | 66.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.02992040 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.02992040 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 27 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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