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88577-88-2 | Ethanone, 1-(4-chlorophenyl)-2-[(1,1-dimethylethyl)thio]-
CAS No: 88577-88-2 Catalog No: AG004BDS MDL No:
Product Description
Catalog Number:
AG004BDS
Chemical Name:
Ethanone, 1-(4-chlorophenyl)-2-[(1,1-dimethylethyl)thio]-
CAS Number:
88577-88-2
Molecular Formula:
C12H15ClOS
Molecular Weight:
242.7649
IUPAC Name:
2-tert-butylsulfanyl-1-(4-chlorophenyl)ethanone
InChI:
InChI=1S/C12H15ClOS/c1-12(2,3)15-8-11(14)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChI Key:
HGFBBWOKIYPFPN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)CSC(C)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.761g/mol
Monoisotopic Mass:
242.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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