1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene

C16H18S — CID 10728890

IUPAC1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene
SMILESCSC(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H18S/c1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15/h4-11,16H,1-3H3
InChIKeyGXVUEYWNXGICTH-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.76
Rot. Bonds3

About 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene

1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene (PubChem CID 10728890) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene
PubChem CID10728890
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene
SMILESCSC(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H18S/c1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15/h4-11,16H,1-3H3
InChIKeyGXVUEYWNXGICTH-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene?
The IUPAC name of 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene (CID 10728890) is 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene.
What is the SMILES notation for 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene?
The canonical SMILES for 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene is CSC(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene?
The InChIKey is GXVUEYWNXGICTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15/h4-11,16H,1-3H3.
What are the key properties of 1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene?
1-methyl-4-[(4-methylphenyl)-methylsulfanylmethyl]benzene has a molecular weight of 242.39 g/mol, XLogP of 4.76, 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-methylphenyl)-methylsulfanylmethyl]benzene is sourced from PubChem (CID 10728890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).