2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene

C10H9F3S — CID 118269155

IUPAC2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESC=Cc1cc(C(F)(F)F)ccc1SC
InChIInChI=1S/C10H9F3S/c1-3-7-6-8(10(11,12)13)4-5-9(7)14-2/h3-6H,1H2,2H3
InChIKeyXZXXYWUXVLPJLA-UHFFFAOYSA-N
MW218.24 g/mol
LogP4.07
Rot. Bonds2

About 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene

2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene (PubChem CID 118269155) has the molecular formula C10H9F3S and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene
PubChem CID118269155
Molecular FormulaC10H9F3S
Molecular Weight218.24 g/mol
Exact Mass218.04
IUPAC Name2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESC=Cc1cc(C(F)(F)F)ccc1SC
InChIInChI=1S/C10H9F3S/c1-3-7-6-8(10(11,12)13)4-5-9(7)14-2/h3-6H,1H2,2H3
InChIKeyXZXXYWUXVLPJLA-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene (CID 118269155) is 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene is C=Cc1cc(C(F)(F)F)ccc1SC.
What is the InChIKey of 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is XZXXYWUXVLPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3S/c1-3-7-6-8(10(11,12)13)4-5-9(7)14-2/h3-6H,1H2,2H3.
What are the key properties of 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene?
2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 218.24 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 118269155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).