1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene

C15H16OS — CID 165348232

IUPAC1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C15H16OS/c1-11-5-8-14(9-6-11)17(16)15-10-12(2)4-7-13(15)3/h4-10H,1-3H3
InChIKeyMBPWJTKSFPFSFH-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.78
Rot. Bonds2

About 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene

1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene (PubChem CID 165348232) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
PubChem CID165348232
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C15H16OS/c1-11-5-8-14(9-6-11)17(16)15-10-12(2)4-7-13(15)3/h4-10H,1-3H3
InChIKeyMBPWJTKSFPFSFH-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene
CID 59167193
1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene
CID 138683224
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
sodium 2,5-dimethylbenzenesulfinate
CID 3310489
zinc bis(2,5-dimethylbenzenesulfinate)
CID 159031464
2-(2,5-dimethylphenyl)sulfinylthioxanthen-9-one
CID 154642403
1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 102101536
1,2-dimethoxy-4-methyl-3-(4-methylphenyl)sulfinylbenzene
CID 76511593
3-(2,5-dimethylphenyl)sulfinylbutan-2-one
CID 64636891
3-(2,5-dimethylphenyl)sulfinylbutan-2-amine
CID 64657321
cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343
barium(2+);bis(4-methylbenzenesulfinate)
CID 87486582

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene?
The IUPAC name of 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene (CID 165348232) is 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene.
What is the SMILES notation for 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene?
The canonical SMILES for 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene is Cc1ccc(S(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene?
The InChIKey is MBPWJTKSFPFSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-5-8-14(9-6-11)17(16)15-10-12(2)4-7-13(15)3/h4-10H,1-3H3.
What are the key properties of 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene?
1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene has a molecular weight of 244.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene is sourced from PubChem (CID 165348232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).