Home Other Building Blocks 2-(acetylsulfanyl)-2-phenylacetic acid

2-(acetylsulfanyl)-2-phenylacetic acid

CAS No.:
41128-19-2
Catalog Number:
AG019ZJ7
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
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Product Description
Catalog Number:
AG019ZJ7
Chemical Name:
2-(acetylsulfanyl)-2-phenylacetic acid
CAS Number:
41128-19-2
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
MDL Number:
MFCD00460380
IUPAC Name:
2-acetylsulfanyl-2-phenylacetic acid
InChI:
InChI=1S/C10H10O3S/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)
InChI Key:
GCBDFXPLCNQIFE-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)SC(=O)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties