4-Acetamidothiophenol - CAS 1126-81-4
Catalog: |
BB003023 |
Product Name: |
4-Acetamidothiophenol |
CAS: |
1126-81-4 |
Synonyms: |
N-(4-sulfanylphenyl)acetamide |
IUPAC Name: | N-(4-sulfanylphenyl)acetamide |
Description: | 4-Acetamidothiophenol (CAS# 1126-81-4) is used in the study of the mutagenic and analgesic activities of aniline derivatives, synthesis and molecular lipophilicity potentials profiles of 1-[(3-Methylphenyl)piperazine-1-yl]-3-(thio(4-acetamido)phenyl]-prpoane, a potential hypotensive agent. |
Molecular Weight: | 167.23 |
Molecular Formula: | C8H9NOS |
Canonical SMILES: | CC(=O)NC1=CC=C(C=C1)S |
InChI: | InChI=1S/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) |
InChI Key: | AYEQJLOHMLYKAV-UHFFFAOYSA-N |
Boiling Point: | 367.1 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.237 g/cm3 |
Appearance: | Yellow powder |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00004848 |
LogP: | 2.00670 |
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 |
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PMID | Publication Date | Title | Journal |
22253873 | 20120101 | Novel protocol for the chemical synthesis of crustacean hyperglycemic hormone analogues--an efficient experimental tool for studying their functions | PloS one |
20582359 | 20100828 | Copper protection by self-assembled monolayers of aromatic thiols in alkaline solutions | Physical chemistry chemical physics : PCCP |
21579151 | 20100417 | 4-Acetamido-N-(λ-triphenyl-phospho-ranyl-idene)benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
20024435 | 20091228 | A multi-technique approach to the analysis of SAMs of aromatic thiols on copper | Physical chemistry chemical physics : PCCP |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.04048508 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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