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1249248-47-2 | 2-[Methyl-(4-methylsulfanyl-benzyl)-amino]-ethanol
CAS No: 1249248-47-2 Catalog No: AG01F8YW MDL No:
Product Description
Catalog Number:
AG01F8YW
Chemical Name:
2-[Methyl-(4-methylsulfanyl-benzyl)-amino]-ethanol
CAS Number:
1249248-47-2
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
IUPAC Name:
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanol
InChI:
InChI=1S/C11H17NOS/c1-12(7-8-13)9-10-3-5-11(14-2)6-4-10/h3-6,13H,7-9H2,1-2H3
InChI Key:
JHWSJJUNJDQNQF-UHFFFAOYSA-N
SMILES:
OCCN(Cc1ccc(cc1)SC)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.323g/mol
Monoisotopic Mass:
211.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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