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893586-36-2 | N-[4-(METHYLTHIO)BENZYL]ETHANAMINE
CAS No: 893586-36-2 Catalog No: AG003X5Y MDL No:MFCD07407633
Product Description
Catalog Number:
AG003X5Y
Chemical Name:
N-[4-(METHYLTHIO)BENZYL]ETHANAMINE
CAS Number:
893586-36-2
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
MDL Number:
MFCD07407633
IUPAC Name:
N-[(4-methylsulfanylphenyl)methyl]ethanamine
InChI:
InChI=1S/C10H15NS/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-7,11H,3,8H2,1-2H3
InChI Key:
VFHSHUCUJKSJJX-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1)SC
Properties
Complexity:
108
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:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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