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69219-79-0 | Thiophenium, 1-butyltetrahydro-, iodide
CAS No: 69219-79-0 Catalog No: AG005WQ8 MDL No:
Product Description
Catalog Number:
AG005WQ8
Chemical Name:
Thiophenium, 1-butyltetrahydro-, iodide
CAS Number:
69219-79-0
Molecular Formula:
C8H17IS
Molecular Weight:
272.1900
IUPAC Name:
1-butylthiolan-1-ium;iodide
InChI:
InChI=1S/C8H17S.HI/c1-2-3-6-9-7-4-5-8-9;/h2-8H2,1H3;1H/q+1;/p-1
InChI Key:
FGQVNLHCKDFQGZ-UHFFFAOYSA-M
SMILES:
CCCC[S+]1CCCC1.[I-]
Properties
Complexity:
65
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.188g/mol
Monoisotopic Mass:
272.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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