Home Halogens Benzene, 1-[(2-chloroethyl)thio]-4-methyl-

Benzene, 1-[(2-chloroethyl)thio]-4-methyl-

CAS No.:
20761-71-1
Catalog Number:
AG002J63
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
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Product Description
Catalog Number:
AG002J63
Chemical Name:
Benzene, 1-[(2-chloroethyl)thio]-4-methyl-
CAS Number:
20761-71-1
Molecular Formula:
C9H11ClS
Molecular Weight:
186.7016
MDL Number:
MFCD00093775
IUPAC Name:
1-(2-chloroethylsulfanyl)-4-methylbenzene
InChI:
InChI=1S/C9H11ClS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3
InChI Key:
MIQDWQOHZJYLBJ-UHFFFAOYSA-N
SMILES:
ClCCSc1ccc(cc1)C
NSC Number:
403651
Properties
Complexity:
97.7  
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:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties