Home Halogens {[(2-bromoethyl)sulfanyl]methyl}benzene

{[(2-bromoethyl)sulfanyl]methyl}benzene

CAS No.:
60671-59-2
Catalog Number:
AG01AM98
Molecular Formula:
C9H11BrS
Molecular Weight:
231.1526
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Product Description
Catalog Number:
AG01AM98
Chemical Name:
{[(2-bromoethyl)sulfanyl]methyl}benzene
CAS Number:
60671-59-2
Molecular Formula:
C9H11BrS
Molecular Weight:
231.1526
MDL Number:
MFCD12172070
IUPAC Name:
2-bromoethylsulfanylmethylbenzene
InChI:
InChI=1S/C9H11BrS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
YUSCZPWCIWNVSV-UHFFFAOYSA-N
SMILES:
BrCCSCc1ccccc1
Properties
Complexity:
89.6  
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:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties