2-Thiophenecarboxylic acid, 5-(methylthio)-


Chemical Name: 2-Thiophenecarboxylic acid, 5-(methylthio)-
CAS Number: 20873-58-9
Product Number: AG002JVF(AGN-PC-0JVC4O)
Synonyms:
MDL No:
Molecular Formula: C6H6O2S2
Molecular Weight: 174.2406

Identification/Properties


Properties
MP:
103 °C
BP:
338.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
174.232g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
173.981g/mol
Monoisotopic Mass:
173.981g/mol
Topological Polar Surface Area:
90.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
138
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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