Home Halogens 1-[(2-bromoethyl)sulfanyl]-3-methylbenzene

1-[(2-bromoethyl)sulfanyl]-3-methylbenzene

CAS No.:
3983-69-5
Catalog Number:
AG01B4U5
Molecular Formula:
C9H11BrS
Molecular Weight:
231.1526
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Product Description
Catalog Number:
AG01B4U5
Chemical Name:
1-[(2-bromoethyl)sulfanyl]-3-methylbenzene
CAS Number:
3983-69-5
Molecular Formula:
C9H11BrS
Molecular Weight:
231.1526
MDL Number:
MFCD14599547
IUPAC Name:
1-(2-bromoethylsulfanyl)-3-methylbenzene
InChI:
InChI=1S/C9H11BrS/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,5-6H2,1H3
InChI Key:
VBHNOFCIYHSWBO-UHFFFAOYSA-N
SMILES:
BrCCSc1cccc(c1)C
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.976g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.151g/mol
Monoisotopic Mass:
229.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties