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88431-23-6 | 2(3H)-Thiophenone, 5-(iodomethyl)dihydro-3-methyl-, cis-
CAS No: 88431-23-6 Catalog No: AG004HMO MDL No:
Product Description
Catalog Number:
AG004HMO
Chemical Name:
2(3H)-Thiophenone, 5-(iodomethyl)dihydro-3-methyl-, cis-
CAS Number:
88431-23-6
Molecular Formula:
C6H9IOS
Molecular Weight:
256.1045
IUPAC Name:
5-(iodomethyl)-3-methylthiolan-2-one
InChI:
InChI=1S/C6H9IOS/c1-4-2-5(3-7)9-6(4)8/h4-5H,2-3H2,1H3
InChI Key:
XCOTVOLYZFQVLY-UHFFFAOYSA-N
SMILES:
C[C@H]1C[C@H](SC1=O)CI
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.942g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.101g/mol
Monoisotopic Mass:
255.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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