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

C10H11F3S — CID 91876360

IUPAC4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene
SMILESCCSc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3S/c1-3-14-8-5-4-7(2)9(6-8)10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyGKOBBEDICQTCDU-UHFFFAOYSA-N
MW220.26 g/mol
LogP4.13
Rot. Bonds2

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

4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene (PubChem CID 91876360) has the molecular formula C10H11F3S and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene
PubChem CID91876360
Molecular FormulaC10H11F3S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene
SMILESCCSc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3S/c1-3-14-8-5-4-7(2)9(6-8)10(11,12)13/h4-6H,3H2,1-2H3
InChIKeyGKOBBEDICQTCDU-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene
CID 91876352
[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol
CID 79018308
4-ethylsulfanyl-2-iodo-1-methylbenzene
CID 91875999
4-ethylsulfanyl-2-methoxy-1-methylbenzene
CID 91876133
S-[4-methyl-3-(trifluoromethyl)phenyl] 3,4-dimethylbenzenecarbothioate
CID 90193111
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
3-(4-ethylsulfanylphenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 116838713
4-methyl-3-(trifluoromethyl)benzenethiol
CID 89041692
4-ethylsulfanyl-2-methylbenzonitrile
CID 66878285
ethane;4-propylsulfanyl-2-(trifluoromethyl)benzonitrile
CID 156868093
2-ethylsulfanyl-4-iodo-1-(trifluoromethyl)benzene
CID 91876022
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene (CID 91876360) is 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene is CCSc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is GKOBBEDICQTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3S/c1-3-14-8-5-4-7(2)9(6-8)10(11,12)13/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene?
4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 220.26 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91876360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).