Home Halogens 2-{[(4-bromophenyl)sulfanyl]methyl}pyrrolidine

2-{[(4-bromophenyl)sulfanyl]methyl}pyrrolidine

CAS No.:
1248501-25-8
Catalog Number:
AG019TYZ
Molecular Formula:
C11H14BrNS
Molecular Weight:
272.2046
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Product Description
Catalog Number:
AG019TYZ
Chemical Name:
2-{[(4-bromophenyl)sulfanyl]methyl}pyrrolidine
CAS Number:
1248501-25-8
Molecular Formula:
C11H14BrNS
Molecular Weight:
272.2046
MDL Number:
MFCD16075926
IUPAC Name:
2-[(4-bromophenyl)sulfanylmethyl]pyrrolidine
InChI:
InChI=1S/C11H14BrNS/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2
InChI Key:
QZKDADRRVBBPHI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)SCC1CCCN1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.204g/mol
Monoisotopic Mass:
271.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties