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16155-31-0 | 2,5-Dichlorophenyl ethyl sulfide
CAS No: 16155-31-0 Catalog No: AG01FEQS MDL No:MFCD22483706
Product Description
Catalog Number:
AG01FEQS
Chemical Name:
2,5-Dichlorophenyl ethyl sulfide
CAS Number:
16155-31-0
Molecular Formula:
C8H8Cl2S
Molecular Weight:
207.1201
MDL Number:
MFCD22483706
IUPAC Name:
1,4-dichloro-2-ethylsulfanylbenzene
InChI:
InChI=1S/C8H8Cl2S/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3
InChI Key:
AZOPUXWZEFZGPQ-UHFFFAOYSA-N
SMILES:
CCSc1cc(Cl)ccc1Cl
Properties
Complexity:
119
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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