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87729-34-8 | Pentanethioic acid, 5-iodo-, S-ethyl ester
CAS No: 87729-34-8 Catalog No: AG004GAY MDL No:
Product Description
Catalog Number:
AG004GAY
Chemical Name:
Pentanethioic acid, 5-iodo-, S-ethyl ester
CAS Number:
87729-34-8
Molecular Formula:
C7H13IOS
Molecular Weight:
272.1470
IUPAC Name:
S-ethyl 5-iodopentanethioate
InChI:
InChI=1S/C7H13IOS/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
InChI Key:
LVXVOECFEOUAIV-UHFFFAOYSA-N
SMILES:
ICCCCC(=O)SCC
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.973g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.144g/mol
Monoisotopic Mass:
271.973g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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