5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid Structure

5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid

Chemical Properties

Melting point 220-224 °C(lit.)
Boiling point 447.5±40.0 °C(Predicted)
Density  1.38±0.1 g/cm3(Predicted)
form  solid
pka 3.51±0.10(Predicted)
InChI 1S/C12H10O2S2/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey XESWRPZAGPHDST-UHFFFAOYSA-N
SMILES CSc1ccc(cc1)-c2ccc(s2)C(O)=O
Comptox DTXSID DTXSID10584609
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H413
Precautionary statements P264-P270-P273-P301+P312-P501
Hazard Codes  Xn
Risk Statements  22
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 4

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