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851594-09-7 | Phenol, 2-[[[2-(methylthio)ethyl]imino]methyl]-
CAS No: 851594-09-7 Catalog No: AG004QRO MDL No:
Product Description
Catalog Number:
AG004QRO
Chemical Name:
Phenol, 2-[[[2-(methylthio)ethyl]imino]methyl]-
CAS Number:
851594-09-7
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
IUPAC Name:
2-(2-methylsulfanylethyliminomethyl)phenol
InChI:
InChI=1S/C10H13NOS/c1-13-7-6-11-8-9-4-2-3-5-10(9)12/h2-5,8,12H,6-7H2,1H3
InChI Key:
CQGGLUGZNVLIKT-UHFFFAOYSA-N
SMILES:
CSCCN=Cc1ccccc1O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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