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Home > Encyclopedia > 2-(Methylthio)benzoic acid

2-(Methylthio)benzoic acid

2-(Methylthio)benzoic acid structure

2-(Methylthio)benzoic acid 

structure
  • CAS No:

    3724-10-5

  • Formula:

    C8H8O2S

  • Chemical Name:

    2-(Methylthio)benzoic acid

  • Synonyms:

    Benzoic acid,2-(methylthio)-;Benzoic acid,o-(methylthio)-;Benzoic acid,o-methylmercapto-;2-(Methylthio)benzoic acid;o-(Methylthio)benzoic acid;2-Methylmercaptobenzoic acid;2-Carboxyphenyl methyl sulfide;NSC 104019;NSC 145347;NSC 151478;NSC 218090;NSC 221934;NSC 266228

2-(Methylthio)benzoic acid Basic Attributes

168.21

168.21

1312995-182-4

151478|145347|104019|221934|218090

DTXSID70190720

2930909090

Characteristics

62.6

2

1.3±0.1 g/cm3

169-170 °C

297.4±23.0 °C at 760 mmHg

133.7±22.6 °C

1.613

soluble in Methanol.

Safety Information

NONH for all modes of transport

3

36/37/38

26-37

DH4390000

Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|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 41 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:168.21
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:62.6
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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