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114067-71-9 | Thiophenium, tetrahydro-1-(1-methylethyl)-, iodide (1:1)
CAS No: 114067-71-9 Catalog No: AG000AFS MDL No:
Product Description
Catalog Number:
AG000AFS
Chemical Name:
Thiophenium, tetrahydro-1-(1-methylethyl)-, iodide (1:1)
CAS Number:
114067-71-9
Molecular Formula:
C7H15IS
Molecular Weight:
258.1635
IUPAC Name:
1-propan-2-ylthiolan-1-ium;iodide
InChI:
InChI=1S/C7H15S.HI/c1-7(2)8-5-3-4-6-8;/h7H,3-6H2,1-2H3;1H/q+1;/p-1
InChI Key:
YOCLORMRQSTBNO-UHFFFAOYSA-M
SMILES:
CC([S+]1CCCC1)C.[I-]
Properties
Complexity:
62.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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