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Home > Fluorides > 1349708-75-3
1349708-75-3 | 5-(Thiomethyl)-2-(trifluoromethoxy)-benzenethiol
CAS No: 1349708-75-3 Catalog No: AG01F9I1 MDL No:MFCD20233194
Product Description
Catalog Number:
AG01F9I1
Chemical Name:
5-(Thiomethyl)-2-(trifluoromethoxy)-benzenethiol
CAS Number:
1349708-75-3
Molecular Formula:
C8H7F3OS2
Molecular Weight:
240.2658
MDL Number:
MFCD20233194
IUPAC Name:
5-methylsulfanyl-2-(trifluoromethoxy)benzenethiol
InChI:
InChI=1S/C8H7F3OS2/c1-14-5-2-3-6(7(13)4-5)12-8(9,10)11/h2-4,13H,1H3
InChI Key:
LCOZOPWZEBCVSU-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)S)OC(F)(F)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:
239.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
239.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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