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190589-10-7 | 1-Propanethiol, 3-[methyl(3-phenoxypropyl)amino]-
CAS No: 190589-10-7 Catalog No: AG002ENI MDL No:
Product Description
Catalog Number:
AG002ENI
Chemical Name:
1-Propanethiol, 3-[methyl(3-phenoxypropyl)amino]-
CAS Number:
190589-10-7
Molecular Formula:
C13H21NOS
Molecular Weight:
239.3769
IUPAC Name:
3-[methyl(3-phenoxypropyl)amino]propane-1-thiol
InChI:
InChI=1S/C13H21NOS/c1-14(10-6-12-16)9-5-11-15-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3
InChI Key:
YGNKIARYUPARFL-UHFFFAOYSA-N
SMILES:
SCCCN(CCCOc1ccccc1)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.377g/mol
Monoisotopic Mass:
239.134g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
13.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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