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29167-28-0 | Ethanol, 2-[(triphenylmethyl)thio]-
CAS No: 29167-28-0 Catalog No: AG002XJB MDL No:
Product Description
Catalog Number:
AG002XJB
Chemical Name:
Ethanol, 2-[(triphenylmethyl)thio]-
CAS Number:
29167-28-0
Molecular Formula:
C21H20OS
Molecular Weight:
320.4479
IUPAC Name:
2-tritylsulfanylethanol
InChI:
InChI=1S/C21H20OS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChI Key:
OSBZFOJENKWGPX-UHFFFAOYSA-N
SMILES:
OCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
129857
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.123g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.45g/mol
Monoisotopic Mass:
320.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| 2-(Tritylsulfan-yl)ethyl 3-iodo-benzoate. | Acta crystallographica. Section E, Structure reports online 20111001 |
| 2-(Tritylsulfan-yl)ethyl 2-iodo-benzoate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Structure-activity relationship of S-trityl-L-cysteine analogues as inhibitors of the human mitotic kinesin Eg5. | Journal of medicinal chemistry 20080313 |
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