4-Methoxybenzenethiol
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4-Methoxybenzenethiol
structure -
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CAS No:
696-63-9
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Formula:
C7H8OS
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Chemical Name:
4-Methoxybenzenethiol
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Synonyms:
Benzenethiol,4-methoxy-;Benzenethiol,p-methoxy-;4-Methoxybenzenethiol;p-Methoxythiophenol;p-Methoxybenzenethiol;4-Methoxythiophenol;4-Mercaptoanisole;p-Methoxyphenyl mercaptan;p-Mercaptoanisole;p-Methoxyphenylthiol;4-Methoxyphenylthiol;NSC 100727;4-Methoxyphenyl mercaptan;4-Methoxybenzene-1-thiol
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CAS No:
4-Methoxybenzenethiol Basic Attributes
140.2
140.20
211-799-2
68N68LMU0G
100727
DTXSID60219873
2930909090
Characteristics
10.2
2.3
1.1313 g/cm3 @ Temp: 25 °C
291.7-295.8 °C (decomp)
228 °C
96.1±0.0 °C
1.566
Safety Information
UN 2810 6.1/PG 3
3
R22;R36/37/38
S26-S36/37-S37/39
DC1800000
Xn:Harmful;
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (98.18%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:140.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.02958605
Monoisotopic Mass:140.02958605
Topological Polar Surface Area:10.2
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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