(Phenylthio)acetic acid - CAS 103-04-8
Catalog: |
BB001003 |
Product Name: |
(Phenylthio)acetic acid |
CAS: |
103-04-8 |
Synonyms: |
0 |
IUPAC Name: | 2-phenylsulfanylacetic acid |
Description: | (Phenylthio)acetic acid (CAS# 103-04-8) is a reactant in the preparation of benzoxazoles, benzimidazoles, and benzothiazoles, which exhibit antimicrobial activity. |
Molecular Weight: | 168.21 |
Molecular Formula: | 0 |
Canonical SMILES: | 0 |
InChI: | 0 |
InChI Key: | 0 |
Boiling Point: | 258 °C at 760 mmHg |
Melting Point: | 60-63°C |
Flash Point: | 109.9°C |
Purity: | 97 % |
Density: | 1.14 g/cm3 |
Appearance: | Brown crystal |
MDL: | MFCD00004355 |
LogP: | 1.86330 |
Vapor Pressure: | 0.000278 [mmHg] |
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 |
US-2021169774-A1 | Cosmetic composition | 20191210 |
WO-2021119664-A1 | Herbal cosmetic composition for treating skin | 20191210 |
US-2021169759-A1 | Topical compositions containing rose oil and cannabidiol and methods of making and using the same | 20191206 |
WO-2021113083-A1 | Topical compositions containing rose oil and cannabidiol and methods of making and using the same | 20191206 |
WO-2021070693-A1 | Colored curable resin composition | 20191007 |
PMID | Publication Date | Title | Journal |
21724454 | 20111015 | Density functional theory calculations of structure, FT-IR and Raman spectra of S-phenyl thioacetate | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21174397 | 20110204 | Synthesis and stereochemical assignment of (+)-chamuvarinin | Organic letters |
19168353 | 20090215 | Discovery and SAR of para-alkylthiophenoxyacetic acids as potent and selective PPARdelta agonists | Bioorganic & medicinal chemistry letters |
18952446 | 20081201 | Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM) | Bioorganic & medicinal chemistry |
17524639 | 20070715 | Discovery of para-alkylthiophenoxyacetic acids as a novel series of potent and selective PPARdelta agonists | Bioorganic & medicinal chemistry letters |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.02450067 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS