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115335-01-8 | Ethanamine, N-methyl-2-[(3-methylphenyl)thio]-, hydrochloride (1:1)
CAS No: 115335-01-8 Catalog No: AG000GMJ MDL No:
Product Description
Catalog Number:
AG000GMJ
Chemical Name:
Ethanamine, N-methyl-2-[(3-methylphenyl)thio]-, hydrochloride (1:1)
CAS Number:
115335-01-8
Molecular Formula:
C10H16ClNS
Molecular Weight:
217.7587
IUPAC Name:
N-methyl-2-(3-methylphenyl)sulfanylethanamine;hydrochloride
InChI:
InChI=1S/C10H15NS.ClH/c1-9-4-3-5-10(8-9)12-7-6-11-2;/h3-5,8,11H,6-7H2,1-2H3;1H
InChI Key:
VLSCEUPVBJCFEX-UHFFFAOYSA-N
SMILES:
CNCCSc1cccc(c1)C.Cl
Properties
Complexity:
116
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:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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