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101861-40-9 | 2-Thiophenecarboxylic acid, 5-(ethylthio)-
CAS No: 101861-40-9 Catalog No: AG0005SQ MDL No:MFCD00738671
Product Description
Catalog Number:
AG0005SQ
Chemical Name:
2-Thiophenecarboxylic acid, 5-(ethylthio)-
CAS Number:
101861-40-9
Molecular Formula:
C7H8O2S2
Molecular Weight:
188.2672
MDL Number:
MFCD00738671
IUPAC Name:
5-ethylsulfanylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H8O2S2/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
JELCXTWBBLAQMG-UHFFFAOYSA-N
SMILES:
CCSc1ccc(s1)C(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.259g/mol
Monoisotopic Mass:
187.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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