4,4,5,5,5-Pentafluoro-1-pentanethiol

C₅H₇F₅SCAS 148757-88-4194.16 g/mol

Open in Covalent MOL file

Alkyl halide Thiol

Properties

Molecular formula: C₅H₇F₅S
Molar mass: 194.16 g/mol
Exact mass: 194.0189 Da
logP: 2.89Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

148757-88-4

SMILES

C(CC(C(F)(F)F)(F)F)CS

InChIKey

OZRFWLLFSGXBOH-UHFFFAOYSA-N

InChI

InChI=1S/C5H7F5S/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2

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Names and synonyms

1 names

4,4,5,5,5-Pentafluoropentane-1-thiol

Work with 4,4,5,5,5-Pentafluoro-1-pentanethiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4,5,5,5-Pentafluoro-1-pentanol148043-73-652 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol34451-26-846 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-644 % similar 9-[(4,4,5,5,5-Pentafluoropentyl)thio]-1-nonanol511545-94-139 % similar 1,1,1,2,2-Pentafluoro-3-iodopropane354-69-836 % similar 2,2,3,3,3-Pentafluoropropylamine422-03-736 % similar 2,2,3,3,3-Pentafluoropropanol422-05-936 % similar 1,4-Butanedithiol1191-08-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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