2-(Methylthio)aniline
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2-(Methylthio)aniline
structure -
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CAS No:
2987-53-3
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Formula:
C7H9NS
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Chemical Name:
2-(Methylthio)aniline
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Synonyms:
Benzenamine,2-(methylthio)-;Aniline,o-(methylthio)-;2-(Methylthio)benzenamine;o-Aminophenyl methyl sulfide;o-(Methylthio)aniline;2-(Methylmercapto)aniline;2-(Methylthio)aniline;2-Aminothioanisole;2-Aminophenyl methyl sulfide;o-(Methylmercapto)aniline;o-Aminothioanisole;Methyl o-aminophenyl sulfide;(2-(Methylthio)phenyl)amine;NSC 41588;NSC 62853;NSC 9425;2-(Methylsulfanyl)aniline;2-Methylsulfanylphenylamine
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CAS No:
2-(Methylthio)aniline Basic Attributes
139.22
139.22
386211
221-055-9
62853|41588
DTXSID80183986
29309090
Characteristics
51.3
1.20
White to light beige Powder and/or Chunks
1.115 g/cm3 @ Temp: 25 °C
215 °C
234 °C
>230 °F
1.612
soluble in water (less).
0.052mmHg at 25°C
Safety Information
III
6.1
UN 2810 6.1/PG 3
3
22
36/37
CY1138333
Xn,Xi
Irritant
P301 + P310
H301
|Danger|H301 (85.42%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:139.22
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:139.04557046
Monoisotopic Mass:139.04557046
Topological Polar Surface Area:51.3
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes