2-Thiophenecarboxylicacid, 5-[4-(methylthio)phenyl]-


Chemical Name: 2-Thiophenecarboxylicacid, 5-[4-(methylthio)phenyl]-
CAS Number: 870703-97-2
Product Number: AG004GIA(AGN-PC-00UQOQ)
Synonyms:
MDL No:
Molecular Formula: C12H10O2S2
Molecular Weight: 250.3366

Identification/Properties


Computed Properties
Molecular Weight:
250.33g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
250.012g/mol
Monoisotopic Mass:
250.012g/mol
Topological Polar Surface Area:
90.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
249
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-H319-H413
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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