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1379341-00-0 | 4-Chloro-3,5-dimethylphenyl ethyl sulfide
CAS No: 1379341-00-0 Catalog No: AG01FBM8 MDL No:
Product Description
Catalog Number:
AG01FBM8
Chemical Name:
4-Chloro-3,5-dimethylphenyl ethyl sulfide
CAS Number:
1379341-00-0
Molecular Formula:
C10H13ClS
Molecular Weight:
200.7282
IUPAC Name:
2-chloro-5-ethylsulfanyl-1,3-dimethylbenzene
InChI:
InChI=1S/C10H13ClS/c1-4-12-9-5-7(2)10(11)8(3)6-9/h5-6H,4H2,1-3H3
InChI Key:
FHOHPPXSNQDFDT-UHFFFAOYSA-N
SMILES:
CCSc1cc(C)c(c(c1)C)Cl
Properties
Complexity:
126
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:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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