2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene

C10H11F3OS — CID 91876148

IUPAC2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene
SMILESCCSc1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3OS/c1-3-15-9-6-7(14-2)4-5-8(9)10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyUNOMFSQGYJTOHD-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.83
Rot. Bonds3

About 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene

2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene (PubChem CID 91876148) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene
PubChem CID91876148
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene
SMILESCCSc1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C10H11F3OS/c1-3-15-9-6-7(14-2)4-5-8(9)10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyUNOMFSQGYJTOHD-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene?
The IUPAC name of 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene (CID 91876148) is 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene is CCSc1cc(OC)ccc1C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene?
The InChIKey is UNOMFSQGYJTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-3-15-9-6-7(14-2)4-5-8(9)10(11,12)13/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene?
2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene has a molecular weight of 236.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methoxy-1-(trifluoromethyl)benzene is sourced from PubChem (CID 91876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).