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Home > Fluorides > 848412-46-4
848412-46-4 | 1,2,4-Thiadiazole, 5-[(6,6-difluoro-5-hexenyl)thio]-
CAS No: 848412-46-4 Catalog No: AG004QTB MDL No:
Product Description
Catalog Number:
AG004QTB
Chemical Name:
1,2,4-Thiadiazole, 5-[(6,6-difluoro-5-hexenyl)thio]-
CAS Number:
848412-46-4
Molecular Formula:
C8H10F2N2S2
Molecular Weight:
236.3052
IUPAC Name:
5-(6,6-difluorohex-5-enylsulfanyl)-1,2,4-thiadiazole
InChI:
InChI=1S/C8H10F2N2S2/c9-7(10)4-2-1-3-5-13-8-11-6-12-14-8/h4,6H,1-3,5H2
InChI Key:
QUJGXIHLNMAOGI-UHFFFAOYSA-N
SMILES:
FC(=CCCCCSc1ncns1)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.299g/mol
Monoisotopic Mass:
236.025g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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