Benzoic acid, 4-(ethylthio)-


Chemical Name: Benzoic acid, 4-(ethylthio)-
CAS Number: 13205-49-7
Product Number: AG00104B(AGN-PC-0JLUE4)
Synonyms:
MDL No:
Molecular Formula: C9H10O2S
Molecular Weight: 182.2395

Identification/Properties


Properties
MP:
145-147℃ (lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
182.237g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
182.04g/mol
Monoisotopic Mass:
182.04g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
151
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


NMR Spectrum


Other Analytical Data


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