1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene

C14H10ClF3S — CID 102434843

IUPAC1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESCc1cc(Cl)cc(Sc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3S/c1-9-5-11(15)8-13(6-9)19-12-4-2-3-10(7-12)14(16,17)18/h2-8H,1H3
InChIKeyFWXBEOBATOAHNF-UHFFFAOYSA-N
MW302.75 g/mol
LogP5.82
Rot. Bonds2

About 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene

1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene (PubChem CID 102434843) has the molecular formula C14H10ClF3S and a molecular weight of 302.75 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene
PubChem CID102434843
Molecular FormulaC14H10ClF3S
Molecular Weight302.75 g/mol
Exact Mass302.01
IUPAC Name1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESCc1cc(Cl)cc(Sc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3S/c1-9-5-11(15)8-13(6-9)19-12-4-2-3-10(7-12)14(16,17)18/h2-8H,1H3
InChIKeyFWXBEOBATOAHNF-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.75
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
The IUPAC name of 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene (CID 102434843) is 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene is Cc1cc(Cl)cc(Sc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
The InChIKey is FWXBEOBATOAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3S/c1-9-5-11(15)8-13(6-9)19-12-4-2-3-10(7-12)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene?
1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene has a molecular weight of 302.75 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 102434843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).