Home Halogens 4-[(2-bromoethyl)sulfanyl]-1,2-dimethylbenzene

4-[(2-bromoethyl)sulfanyl]-1,2-dimethylbenzene

CAS No.:
13290-45-4
Catalog Number:
AG019UDV
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
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Product Description
Catalog Number:
AG019UDV
Chemical Name:
4-[(2-bromoethyl)sulfanyl]-1,2-dimethylbenzene
CAS Number:
13290-45-4
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD09948502
IUPAC Name:
4-(2-bromoethylsulfanyl)-1,2-dimethylbenzene
InChI:
InChI=1S/C10H13BrS/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6H2,1-2H3
InChI Key:
MRMFGTPAFONFTH-UHFFFAOYSA-N
SMILES:
BrCCSc1ccc(c(c1)C)C
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.992g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties