Home Halogens 1-[(1-aminopropan-2-yl)sulfanyl]-4-bromobenzene hydrochloride

1-[(1-aminopropan-2-yl)sulfanyl]-4-bromobenzene hydrochloride

CAS No.:
1269152-10-4
Catalog Number:
AG01AH2Z
Molecular Formula:
C9H13BrClNS
Molecular Weight:
282.6282
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Product Description
Catalog Number:
AG01AH2Z
Chemical Name:
1-[(1-aminopropan-2-yl)sulfanyl]-4-bromobenzene hydrochloride
CAS Number:
1269152-10-4
Molecular Formula:
C9H13BrClNS
Molecular Weight:
282.6282
MDL Number:
MFCD18380753
IUPAC Name:
2-(4-bromophenyl)sulfanylpropan-1-amine;hydrochloride
InChI:
InChI=1S/C9H12BrNS.ClH/c1-7(6-11)12-9-4-2-8(10)3-5-9;/h2-5,7H,6,11H2,1H3;1H
InChI Key:
TUQFVBPMWWRKLM-UHFFFAOYSA-N
SMILES:
NCC(Sc1ccc(cc1)Br)C.Cl
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.964g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.624g/mol
Monoisotopic Mass:
280.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties