Methyl 2-(phenylthio)acetate
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Methyl 2-(phenylthio)acetate
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CAS No:
17277-58-6
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Formula:
C9H10O2S
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Chemical Name:
Methyl 2-(phenylthio)acetate
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Synonyms:
Acetic acid,2-(phenylthio)-,methyl ester;Acetic acid,(phenylthio)-,methyl ester;Methyl 2-(phenylthio)acetate;Methyl (phenylthio)acetate;Methyl α-(phenylthio)acetate;Methyl thiophenoxyacetate;Methyl phenylsulfenylacetate;NSC 620044;(Phenylthio)acetic acid methyl ester
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CAS No:
Characteristics
51.60000
1.95170
1.1728 g/cm3 @ Temp: 25 °C
262-263 °C @ Press: 759.4 Torr
115.3ºC
n20/D 1.559
0.013mmHg at 25°C
Safety Information
3
20/21/22-36/37/38
23-24/25-36/37/39-26
Xn
|Warning|H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:182.24
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:51.6
Heavy Atom Count:12
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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