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67215-18-3 | 2-(2-Methoxy-phenylsulfanyl)-ethylamine
CAS No: 67215-18-3 Catalog No: AG01EWUX MDL No:
Product Description
Catalog Number:
AG01EWUX
Chemical Name:
2-(2-Methoxy-phenylsulfanyl)-ethylamine
CAS Number:
67215-18-3
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
2-(2-methoxyphenyl)sulfanylethanamine
InChI:
InChI=1S/C9H13NOS/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3
InChI Key:
FWTYMSQXRXREFR-UHFFFAOYSA-N
SMILES:
NCCSc1ccccc1OC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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