(Phenylthio)acetic acid
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(Phenylthio)acetic acid
structure -
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CAS No:
103-04-8
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Formula:
C8H8O2S
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Chemical Name:
(Phenylthio)acetic acid
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Synonyms:
Acetic acid,2-(phenylthio)-;Acetic acid,(phenylthio)-;2-(Phenylthio)acetic acid;α-Carboxythioanisole;(Phenylthio)acetic acid;Phenylmercaptoacetic acid;Carboxymethyl phenyl sulfide;Phenylthioglycolic acid;(S-Phenylmercapto)acetic acid;Thiophenoxyacetic acid;2-(Phenylsulfanyl)acetic acid;NSC 9582
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CAS No:
(Phenylthio)acetic acid Basic Attributes
168.21
168.21
203-073-9
M12342PPGS
9582
DTXSID4074431
2930909090
Characteristics
62.6
1.9
Brown crystal
1.3±0.1 g/cm3
65 °C
314.4°C at 760 mmHg
144.0±23.2 °C
1.610
0.000197mmHg at 25°C
Safety Information
UN 3335
3
R36/37/38
S26-S36
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:168.21
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:62.6
Heavy Atom Count:11
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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