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101079-92-9 | 3,5-Dichlorophenyl ethyl sulfide
CAS No: 101079-92-9 Catalog No: AG01FEJ3 MDL No:
Product Description
Catalog Number:
AG01FEJ3
Chemical Name:
3,5-Dichlorophenyl ethyl sulfide
CAS Number:
101079-92-9
Molecular Formula:
C8H8Cl2S
Molecular Weight:
207.1201
IUPAC Name:
1,3-dichloro-5-ethylsulfanylbenzene
InChI:
InChI=1S/C8H8Cl2S/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3
InChI Key:
BKIFTVBHSIDEFO-UHFFFAOYSA-N
SMILES:
CCSc1cc(Cl)cc(c1)Cl
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.972g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.112g/mol
Monoisotopic Mass:
205.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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