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Home > Fluorides > 1429056-31-4
1429056-31-4 | 2-Methyl-5-(trifluoromethyl)benzenethiol
CAS No: 1429056-31-4 Catalog No: AG01FC0I MDL No:MFCD23701332
Product Description
Catalog Number:
AG01FC0I
Chemical Name:
2-Methyl-5-(trifluoromethyl)benzenethiol
CAS Number:
1429056-31-4
Molecular Formula:
C8H7F3S
Molecular Weight:
192.2014
MDL Number:
MFCD23701332
IUPAC Name:
2-methyl-5-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C8H7F3S/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4,12H,1H3
InChI Key:
WTOMSKLVOCBZBF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S)C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.199g/mol
Monoisotopic Mass:
192.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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