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2014-78-0 | Ethanamine, N-methyl-2-(phenylthio)-
CAS No: 2014-78-0 Catalog No: AG002DE2 MDL No:MFCD08691918
Product Description
Catalog Number:
AG002DE2
Chemical Name:
Ethanamine, N-methyl-2-(phenylthio)-
CAS Number:
2014-78-0
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD08691918
IUPAC Name:
N-methyl-2-phenylsulfanylethanamine
InChI:
InChI=1S/C9H13NS/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
DLDHEZJFNPKHCW-UHFFFAOYSA-N
SMILES:
CNCCSc1ccccc1
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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