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Home > Fluorides > 140377-42-0
140377-42-0 | 1,3-Dithiane, 2-[(4-fluorophenyl)methyl]-
CAS No: 140377-42-0 Catalog No: AG001CBS MDL No:
Product Description
Catalog Number:
AG001CBS
Chemical Name:
1,3-Dithiane, 2-[(4-fluorophenyl)methyl]-
CAS Number:
140377-42-0
Molecular Formula:
C11H13FS2
Molecular Weight:
228.3493
IUPAC Name:
2-[(4-fluorophenyl)methyl]-1,3-dithiane
InChI:
InChI=1S/C11H13FS2/c12-10-4-2-9(3-5-10)8-11-13-6-1-7-14-11/h2-5,11H,1,6-8H2
InChI Key:
YEQKOMNALWGRAQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CC1SCCCS1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.343g/mol
Monoisotopic Mass:
228.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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