4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride

C8H6ClF3OS — CID 89299042

IUPAC4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride
SMILESCc1ccc(S(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF3OS/c1-5-2-3-6(14(9)13)4-7(5)8(10,11)12/h2-4H,1H3
InChIKeyXOICZUAWSWOARI-UHFFFAOYSA-N
MW242.65 g/mol
LogP3.28
Rot. Bonds1

About 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride

4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride (PubChem CID 89299042) has the molecular formula C8H6ClF3OS and a molecular weight of 242.65 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride
PubChem CID89299042
Molecular FormulaC8H6ClF3OS
Molecular Weight242.65 g/mol
Exact Mass241.98
IUPAC Name4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride
SMILESCc1ccc(S(=O)Cl)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF3OS/c1-5-2-3-6(14(9)13)4-7(5)8(10,11)12/h2-4H,1H3
InChIKeyXOICZUAWSWOARI-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.65
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride?
The IUPAC name of 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride (CID 89299042) is 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride is Cc1ccc(S(=O)Cl)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride?
The InChIKey is XOICZUAWSWOARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3OS/c1-5-2-3-6(14(9)13)4-7(5)8(10,11)12/h2-4H,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride?
4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride has a molecular weight of 242.65 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)benzenesulfinyl chloride is sourced from PubChem (CID 89299042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).