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866152-94-5 | 1-(3-iodophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
CAS No: 866152-94-5 Catalog No: AG00IZU0 MDL No:MFCD05669417
Product Description
Catalog Number:
AG00IZU0
Chemical Name:
1-(3-iodophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
CAS Number:
866152-94-5
Molecular Formula:
C11H11IOS2
Molecular Weight:
350.2389
MDL Number:
MFCD05669417
IUPAC Name:
1-(3-iodophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
InChI:
InChI=1S/C11H11IOS2/c1-14-11(15-2)7-10(13)8-4-3-5-9(12)6-8/h3-7H,1-2H3
InChI Key:
OXNVEOVZBXYAQU-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1cccc(c1)I)SC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.93g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.232g/mol
Monoisotopic Mass:
349.93g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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