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114458-67-2 | 1-Propanamine, N-methyl-3-(phenylthio)-
CAS No: 114458-67-2 Catalog No: AG000EF4 MDL No:MFCD08691907
Product Description
Catalog Number:
AG000EF4
Chemical Name:
1-Propanamine, N-methyl-3-(phenylthio)-
CAS Number:
114458-67-2
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
MDL Number:
MFCD08691907
IUPAC Name:
N-methyl-3-phenylsulfanylpropan-1-amine
InChI:
InChI=1S/C10H15NS/c1-11-8-5-9-12-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChI Key:
JTKPZAFRQHLJTA-UHFFFAOYSA-N
SMILES:
CNCCCSc1ccccc1
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.093g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.297g/mol
Monoisotopic Mass:
181.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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