2-Phenoxyethanethiol - CAS 6338-63-2
Catalog:
BB076972
Product Name:
2-Phenoxyethanethiol
CAS:
6338-63-2
Synonyms:
2-phenoxyethane-1-thiol; Ethanethiol, 2-phenoxy-
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BB076972
100 mg
$268
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IUPAC Name: 2-phenoxyethanethiol
Description: 2-Phenoxyethanethiol, a potent chelator, finds large-scale application in the pharmaceutical and pesticide industries. Its potential use in the preparation of hypotensive agents and treatment of hypertension and congestive heart failure establishes it as a versatile therapeutic compound. Plausibly, 2-Phenoxyethanethiol complements the biopharmaceutical industry with its unique organic framework and functional properties.
Molecular Weight: 154.23
Molecular Formula: C8H10OS
Canonical SMILES: C1=CC=C(C=C1)OCCSb
InChI: InChI=1S/C8H10OS/c10-7-6-9-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChI Key: WGZWXVFLOUVQLH-UHFFFAOYSA-N
Boiling Point: 201-202°C
Density: 1.105 g/mL at 25°C
Appearance: Colorless to green liquid
GHS Hazard Statement: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word: Warning
Complexity: 79.3
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 154.04523611
Formal Charge: 0
Heavy Atom Count: 10
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 154.04523611
Rotatable Bond Count: 3
Topological Polar Surface Area: 10.2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.1
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