1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene

C20H18S — CID 130214671

IUPAC1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
SMILESCSc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C20H18S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21-2)14-12-19/h3-14H,1-2H3
InChIKeyVXSVGSJMQLFGOU-UHFFFAOYSA-N
MW290.43 g/mol
LogP6.05
Rot. Bonds3

About 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene

1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene (PubChem CID 130214671) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
PubChem CID130214671
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
SMILESCSc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C20H18S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21-2)14-12-19/h3-14H,1-2H3
InChIKeyVXSVGSJMQLFGOU-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane
CID 160555586
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
1-methyl-4-methylsulfanylbenzene;methylsulfanylbenzene;2-methylsulfanylnaphthalene
CID 158033725
1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
CID 85239919
1-methoxy-4-methylbenzene;1-methyl-4-methylsulfanylbenzene;1-methyl-4-(4-methylsulfanylphenyl)benzene;1-(4-methylphenyl)ethanone;molecular oxygen
CID 161053566
2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium
CID 27101180
2-[4-(4-methylsulfanylphenyl)phenyl]ethanol
CID 2760093
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene (CID 130214671) is 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene is CSc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene?
The InChIKey is VXSVGSJMQLFGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21-2)14-12-19/h3-14H,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene?
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene has a molecular weight of 290.43 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene is sourced from PubChem (CID 130214671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).