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91238-73-2 | Phenol, 4-[bis(ethylthio)methyl]-2-iodo-
CAS No: 91238-73-2 Catalog No: AG006PFL MDL No:
Product Description
Catalog Number:
AG006PFL
Chemical Name:
Phenol, 4-[bis(ethylthio)methyl]-2-iodo-
CAS Number:
91238-73-2
Molecular Formula:
C11H15IOS2
Molecular Weight:
354.2707
IUPAC Name:
4-[bis(ethylsulfanyl)methyl]-2-iodophenol
InChI:
InChI=1S/C11H15IOS2/c1-3-14-11(15-4-2)8-5-6-10(13)9(12)7-8/h5-7,11,13H,3-4H2,1-2H3
InChI Key:
BVZAHFJVTMLEBZ-UHFFFAOYSA-N
SMILES:
CCSC(c1ccc(c(c1)I)O)SCC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.961g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.264g/mol
Monoisotopic Mass:
353.961g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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