1-methyl-4-(phenylsulfanylmethyl)benzene

C14H14S — CID 4609867

IUPAC1-methyl-4-(phenylsulfanylmethyl)benzene
SMILESCc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-12-7-9-13(10-8-12)11-15-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyNQBAGKCXIRIHMN-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.29
Rot. Bonds3

About 1-methyl-4-(phenylsulfanylmethyl)benzene

1-methyl-4-(phenylsulfanylmethyl)benzene (PubChem CID 4609867) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-methyl-4-(phenylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(phenylsulfanylmethyl)benzene
PubChem CID4609867
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name1-methyl-4-(phenylsulfanylmethyl)benzene
SMILESCc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-12-7-9-13(10-8-12)11-15-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyNQBAGKCXIRIHMN-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(phenylsulfanylmethyl)benzene?
The IUPAC name of 1-methyl-4-(phenylsulfanylmethyl)benzene (CID 4609867) is 1-methyl-4-(phenylsulfanylmethyl)benzene.
What is the SMILES notation for 1-methyl-4-(phenylsulfanylmethyl)benzene?
The canonical SMILES for 1-methyl-4-(phenylsulfanylmethyl)benzene is Cc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(phenylsulfanylmethyl)benzene?
The InChIKey is NQBAGKCXIRIHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-12-7-9-13(10-8-12)11-15-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-methyl-4-(phenylsulfanylmethyl)benzene?
1-methyl-4-(phenylsulfanylmethyl)benzene has a molecular weight of 214.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(phenylsulfanylmethyl)benzene is sourced from PubChem (CID 4609867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).