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89804-72-8 | Benzenamine, N-[3-(methylthio)propyl]-, hydrochloride
CAS No: 89804-72-8 Catalog No: AG003Z0E MDL No:
Product Description
Catalog Number:
AG003Z0E
Chemical Name:
Benzenamine, N-[3-(methylthio)propyl]-, hydrochloride
CAS Number:
89804-72-8
Molecular Formula:
C10H16ClNS
Molecular Weight:
217.7587
IUPAC Name:
N-(3-methylsulfanylpropyl)aniline;hydrochloride
InChI:
InChI=1S/C10H15NS.ClH/c1-12-9-5-8-11-10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9H2,1H3;1H
InChI Key:
YIMZQXDSJUEVNL-UHFFFAOYSA-N
SMILES:
CSCCCNc1ccccc1.Cl
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.755g/mol
Monoisotopic Mass:
217.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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