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1443346-68-6 | 3,4-Dichlorobenzyl ethyl sulfide
CAS No: 1443346-68-6 Catalog No: AG01FEQ9 MDL No:
Product Description
Catalog Number:
AG01FEQ9
Chemical Name:
3,4-Dichlorobenzyl ethyl sulfide
CAS Number:
1443346-68-6
Molecular Formula:
C9H10Cl2S
Molecular Weight:
221.1467
IUPAC Name:
1,2-dichloro-4-(ethylsulfanylmethyl)benzene
InChI:
InChI=1S/C9H10Cl2S/c1-2-12-6-7-3-4-8(10)9(11)5-7/h3-5H,2,6H2,1H3
InChI Key:
FOIFGUKONHCYOR-UHFFFAOYSA-N
SMILES:
CCSCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.139g/mol
Monoisotopic Mass:
219.988g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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