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79467-22-4

79467-22-4 | 2-[2-(Aminomethyl)phenylthio]benzyl alcohol

CAS No: 79467-22-4 Catalog No: AG003G8G MDL No:

Product Description

Catalog Number:
AG003G8G
Chemical Name:
2-[2-(Aminomethyl)phenylthio]benzyl alcohol
CAS Number:
79467-22-4
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
[2-[2-(aminomethyl)phenyl]sulfanylphenyl]methanol
InChI:
InChI=1S/C14H15NOS/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,16H,9-10,15H2
InChI Key:
HLAFSNJRKZLMPT-UHFFFAOYSA-N
SMILES:
NCc1ccccc1Sc1ccccc1CO
UNII:
49DCB7156W

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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