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88889-92-3 | Benzeneethanol, b-[[2-(dimethylamino)ethyl]thio]-
CAS No: 88889-92-3 Catalog No: AG0049J3 MDL No:
Product Description
Catalog Number:
AG0049J3
Chemical Name:
Benzeneethanol, b-[[2-(dimethylamino)ethyl]thio]-
CAS Number:
88889-92-3
Molecular Formula:
C12H19NOS
Molecular Weight:
225.3504
IUPAC Name:
2-[2-(dimethylamino)ethylsulfanyl]-2-phenylethanol
InChI:
InChI=1S/C12H19NOS/c1-13(2)8-9-15-12(10-14)11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChI Key:
CRZLTMRCYQCJDO-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)SCCN(C)C
NSC Number:
108210
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.35g/mol
Monoisotopic Mass:
225.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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