Benzyl 2,2,2-Trifluoroethyl Sulphide
Catalog: |
BB074041 |
Product Name: |
Benzyl 2,2,2-Trifluoroethyl Sulphide |
Synonyms: |
Benzyl 2,2,2-trifluoroethyl sulfide; 2,2,2-trifluoroethylsulfanylmethylbenzene; benzyl(2,2,2-trifluoroethyl)sulfane; (2,2,2-trifluoroethylthio)methylbenzene; 2,2,2-Trifluoroethylbenzyl sulfide |
IUPAC Name: | 2,2,2-trifluoroethylsulfanylmethylbenzene |
Molecular Weight: | 206.22 |
Molecular Formula: | C9H9F3S |
Canonical SMILES: | C1=CC=C(C=C1)CSCC(F)(F)F |
InChI: | InChI=1S/C9H9F3S/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | ZDVBYNCJCIYCFO-UHFFFAOYSA-N |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03770595 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03770595 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 25.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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