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88050-49-1 | Benzene, [[(2-iodoethyl)thio]methyl]-
CAS No: 88050-49-1 Catalog No: AG004FOW MDL No:
Product Description
Catalog Number:
AG004FOW
Chemical Name:
Benzene, [[(2-iodoethyl)thio]methyl]-
CAS Number:
88050-49-1
Molecular Formula:
C9H11IS
Molecular Weight:
278.1531
IUPAC Name:
2-iodoethylsulfanylmethylbenzene
InChI:
InChI=1S/C9H11IS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
AINPDWZRKMVMEA-UHFFFAOYSA-N
SMILES:
ICCSCc1ccccc1
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.151g/mol
Monoisotopic Mass:
277.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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