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1314955-58-2 | 4-Chloro-3-methylphenyl ethyl sulfide
CAS No: 1314955-58-2 Catalog No: AG01FD0K MDL No:
Product Description
Catalog Number:
AG01FD0K
Chemical Name:
4-Chloro-3-methylphenyl ethyl sulfide
CAS Number:
1314955-58-2
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
IUPAC Name:
1-chloro-4-ethylsulfanyl-2-methylbenzene
InChI:
InChI=1S/C9H11ClS/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:
GGCVZPGIDHVEOA-UHFFFAOYSA-N
SMILES:
CCSc1ccc(c(c1)C)Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.697g/mol
Monoisotopic Mass:
186.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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