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89307-36-8 | Phenol, 4-amino-2-[[(phenylmethyl)thio]methyl]-
CAS No: 89307-36-8 Catalog No: AG0040G3 MDL No:
Product Description
Catalog Number:
AG0040G3
Chemical Name:
Phenol, 4-amino-2-[[(phenylmethyl)thio]methyl]-
CAS Number:
89307-36-8
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
4-amino-2-(benzylsulfanylmethyl)phenol
InChI:
InChI=1S/C14H15NOS/c15-13-6-7-14(16)12(8-13)10-17-9-11-4-2-1-3-5-11/h1-8,16H,9-10,15H2
InChI Key:
UFTUOJBHRWUALD-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)CSCc1ccccc1)O
Properties
Complexity:
218
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:
2.8
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