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1379340-48-3 | 4-Chloro-3-ethylphenyl ethyl sulfide
CAS No: 1379340-48-3 Catalog No: AG01FDJ7 MDL No:
Product Description
Catalog Number:
AG01FDJ7
Chemical Name:
4-Chloro-3-ethylphenyl ethyl sulfide
CAS Number:
1379340-48-3
Molecular Formula:
C10H13ClS
Molecular Weight:
200.7282
IUPAC Name:
1-chloro-2-ethyl-4-ethylsulfanylbenzene
InChI:
InChI=1S/C10H13ClS/c1-3-8-7-9(12-4-2)5-6-10(8)11/h5-7H,3-4H2,1-2H3
InChI Key:
VWLKUXIMOVXMEC-UHFFFAOYSA-N
SMILES:
CCSc1ccc(c(c1)CC)Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.724g/mol
Monoisotopic Mass:
200.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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