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774556-23-9 | 2-((4-(METHYLTHIO)BENZYL)AMINO)ETHANOL
CAS No: 774556-23-9 Catalog No: AG005B9Y MDL No:MFCD05740342
Product Description
Catalog Number:
AG005B9Y
Chemical Name:
2-((4-(METHYLTHIO)BENZYL)AMINO)ETHANOL
CAS Number:
774556-23-9
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
MDL Number:
MFCD05740342
IUPAC Name:
2-[(4-methylsulfanylphenyl)methylamino]ethanol
InChI:
InChI=1S/C10H15NOS/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
InChI Key:
MXNHNDNJEDGUBO-UHFFFAOYSA-N
SMILES:
OCCNCc1ccc(cc1)SC
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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