4-(Methylmercapto)phenol - CAS 1073-72-9
Catalog: |
BB002068 |
Product Name: |
4-(Methylmercapto)phenol |
CAS: |
1073-72-9 |
Synonyms: |
4-methylsulfanylphenol |
IUPAC Name: | 4-methylsulfanylphenol |
Description: | 4-(Methylmercapto)phenol (CAS# 1073-72-9) is used as a reagent in the synthesis of tricyclic compounds as insulin-like growth factor 1 receptor (IGF1R) inhibitors useful in the treatment of neoplastic diseases, inflammatory disorders, and immunomodulatory disorders. |
Molecular Weight: | 140.20 |
Molecular Formula: | C7H8OS |
Canonical SMILES: | CSC1=CC=C(C=C1)O |
InChI: | InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 |
InChI Key: | QASBCTGZKABPKX-UHFFFAOYSA-N |
Boiling Point: | 153-156 °C (20 mmHg) |
Melting Point: | 84-86 °C |
Purity: | 95 % |
Density: | 1.19 g/cm3 |
Appearance: | Off-white to light purple crystalline powder |
MDL: | MFCD00002351 |
LogP: | 2.11410 |
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 |
20110873 | 20091228 | Transition-metal-free highly efficient aerobic oxidation of sulfides to sulfoxides under mild conditions | Molecules (Basel, Switzerland) |
19697320 | 20090901 | Dimerization of ionized 4-(methyl mercapto)-phenol during ESI, APCI and APPI mass spectrometry | Journal of mass spectrometry : JMS |
Complexity: | 77 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.02958605 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.02958605 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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