4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene

C10H10ClF3S2 — CID 10266044

IUPAC4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene
SMILESCSC(SC)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3S2/c1-15-9(16-2)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9H,1-2H3
InChIKeyYQNLGZAKLTWDJS-UHFFFAOYSA-N
MW286.77 g/mol
LogP5.08
Rot. Bonds3

About 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene

4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene (PubChem CID 10266044) has the molecular formula C10H10ClF3S2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene
PubChem CID10266044
Molecular FormulaC10H10ClF3S2
Molecular Weight286.77 g/mol
Exact Mass285.99
IUPAC Name4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene
SMILESCSC(SC)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3S2/c1-15-9(16-2)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9H,1-2H3
InChIKeyYQNLGZAKLTWDJS-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.77
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[bis(methylsulfanyl)methyl]-1-chloro-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

Frequently Asked Questions

What is the IUPAC name of 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene (CID 10266044) is 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene is CSC(SC)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene?
The InChIKey is YQNLGZAKLTWDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3S2/c1-15-9(16-2)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,9H,1-2H3.
What are the key properties of 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene?
4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene has a molecular weight of 286.77 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 10266044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).