4-(4-tert-butylphenyl)benzenesulfinyl chloride

C16H17ClOS — CID 145112822

IUPAC4-(4-tert-butylphenyl)benzenesulfinyl chloride
SMILESCC(C)(C)c1ccc(-c2ccc(S(=O)Cl)cc2)cc1
InChIInChI=1S/C16H17ClOS/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19(17)18/h4-11H,1-3H3
InChIKeyDLOYJXUSSDFPLD-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.91
Rot. Bonds2

About 4-(4-tert-butylphenyl)benzenesulfinyl chloride

4-(4-tert-butylphenyl)benzenesulfinyl chloride (PubChem CID 145112822) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)benzenesulfinyl chloride.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)benzenesulfinyl chloride
PubChem CID145112822
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name4-(4-tert-butylphenyl)benzenesulfinyl chloride
SMILESCC(C)(C)c1ccc(-c2ccc(S(=O)Cl)cc2)cc1
InChIInChI=1S/C16H17ClOS/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19(17)18/h4-11H,1-3H3
InChIKeyDLOYJXUSSDFPLD-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)benzenesulfinyl chloride?
The IUPAC name of 4-(4-tert-butylphenyl)benzenesulfinyl chloride (CID 145112822) is 4-(4-tert-butylphenyl)benzenesulfinyl chloride.
What is the SMILES notation for 4-(4-tert-butylphenyl)benzenesulfinyl chloride?
The canonical SMILES for 4-(4-tert-butylphenyl)benzenesulfinyl chloride is CC(C)(C)c1ccc(-c2ccc(S(=O)Cl)cc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)benzenesulfinyl chloride?
The InChIKey is DLOYJXUSSDFPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19(17)18/h4-11H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)benzenesulfinyl chloride?
4-(4-tert-butylphenyl)benzenesulfinyl chloride has a molecular weight of 292.83 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)benzenesulfinyl chloride is sourced from PubChem (CID 145112822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).