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206998-76-7 | Phenol, 2-[[[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]imino]methyl]-
CAS No: 206998-76-7 Catalog No: AG002ISR MDL No:
Product Description
Catalog Number:
AG002ISR
Chemical Name:
Phenol, 2-[[[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]imino]methyl]-
CAS Number:
206998-76-7
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
IUPAC Name:
2-[[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]iminomethyl]phenol
InChI:
InChI=1S/C12H17NO2S/c1-16-7-6-11(9-14)13-8-10-4-2-3-5-12(10)15/h2-5,8,11,14-15H,6-7,9H2,1H3/t11-/m0/s1
InChI Key:
TZUNLMKRRWLFDB-NSHDSACASA-N
SMILES:
CSCC[C@H](N=Cc1ccccc1O)CO
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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