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111349-70-3 | Propane, 1-[(1,1-dimethylethyl)thio]-3-iodo-
CAS No: 111349-70-3 Catalog No: AG007T5I MDL No:
Product Description
Catalog Number:
AG007T5I
Chemical Name:
Propane, 1-[(1,1-dimethylethyl)thio]-3-iodo-
CAS Number:
111349-70-3
Molecular Formula:
C7H15IS
Molecular Weight:
258.1635
IUPAC Name:
2-(3-iodopropylsulfanyl)-2-methylpropane
InChI:
InChI=1S/C7H15IS/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3
InChI Key:
GGTPXAQEEWAHIQ-UHFFFAOYSA-N
SMILES:
ICCCSC(C)(C)C
Properties
Complexity:
65.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.161g/mol
Monoisotopic Mass:
257.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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