4-(Methylthio)benzoic acid

4-(Methylthio)benzoic acid

Cat. No.: PI13205486

Product Details Other Identifiers Computed Properties
CAS 13205-48-6
Synonyms Benzoic acid,p-(methylthio)-
Molecular Formula C8H8O2S
Molecular Weight 168.21
Density 1.28±0.1 g/cm3(Predicted)
Melting Point 193-196 °C
Boiling Point 319.0±25.0 °C(Predicted)
Flash Point 146.7±23.2 °C
Refractive Index 1.613
Appearance Light yellow to beige crystalline powder
EC Number 236-171-5
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 168.02450067
Monoisotopic Mass 168.02450067
Heavy Atom Count 11
Complexity 139
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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