Home Halogens N-[(3-bromophenyl)methyl]thian-4-amine hydrochloride

N-[(3-bromophenyl)methyl]thian-4-amine hydrochloride

CAS No.:
1803566-42-8
Catalog Number:
AG01B9O6
Molecular Formula:
C12H17BrClNS
Molecular Weight:
322.6921
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Product Description
Catalog Number:
AG01B9O6
Chemical Name:
N-[(3-bromophenyl)methyl]thian-4-amine hydrochloride
CAS Number:
1803566-42-8
Molecular Formula:
C12H17BrClNS
Molecular Weight:
322.6921
MDL Number:
MFCD28383941
IUPAC Name:
N-[(3-bromophenyl)methyl]thian-4-amine;hydrochloride
InChI:
InChI=1S/C12H16BrNS.ClH/c13-11-3-1-2-10(8-11)9-14-12-4-6-15-7-5-12;/h1-3,8,12,14H,4-7,9H2;1H
InChI Key:
GCUBRBUOWRYKGV-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CNC1CCSCC1.Cl
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.995g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
322.689g/mol
Monoisotopic Mass:
320.995g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties