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Home > Fluorides > 1267103-39-8
1267103-39-8 | 2-(3,5-Difluorophenyl)ethanethiol
CAS No: 1267103-39-8 Catalog No: AG01FECR MDL No:
Product Description
Catalog Number:
AG01FECR
Chemical Name:
2-(3,5-Difluorophenyl)ethanethiol
CAS Number:
1267103-39-8
Molecular Formula:
C8H8F2S
Molecular Weight:
174.2109
IUPAC Name:
2-(3,5-difluorophenyl)ethanethiol
InChI:
InChI=1S/C8H8F2S/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5,11H,1-2H2
InChI Key:
STLJNJLTZQBJJF-UHFFFAOYSA-N
SMILES:
SCCc1cc(F)cc(c1)F
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.209g/mol
Monoisotopic Mass:
174.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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