[[(R)-methylsulfinyl]-phenylmethyl]benzene

C14H14OS — CID 124577636

IUPAC[[(R)-methylsulfinyl]-phenylmethyl]benzene
SMILESC[S@@](=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14OS/c1-16(15)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3/t16-/m1/s1
InChIKeyFOPLXLNCFLRBDA-MRXNPFEDSA-N
MW230.33 g/mol
LogP3.15
Rot. Bonds3

About [[(R)-methylsulfinyl]-phenylmethyl]benzene

[[(R)-methylsulfinyl]-phenylmethyl]benzene (PubChem CID 124577636) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is [[(R)-methylsulfinyl]-phenylmethyl]benzene.

Molecular Properties

Compound Name[[(R)-methylsulfinyl]-phenylmethyl]benzene
PubChem CID124577636
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name[[(R)-methylsulfinyl]-phenylmethyl]benzene
SMILESC[S@@](=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14OS/c1-16(15)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3/t16-/m1/s1
InChIKeyFOPLXLNCFLRBDA-MRXNPFEDSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [[(R)-methylsulfinyl]-phenylmethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(methylsulfinyl)methylbenzene
CID 173250906
[(1R)-1-methylsulfinylethyl]benzene
CID 15685613
1-(methyldisulfanyl)-3-[methylsulfinyl(phenyl)methyl]benzene
CID 155025894
diphenylmethanesulfinyl chloride
CID 140576973
cumene;methylsulfinylbenzene
CID 143291926
[(S)-benzhydrylsulfinyl]formamide
CID 93077367
[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene
CID 129383250
2-benzhydrylsulfinylethanamine
CID 13267785
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 103897213
benzhydrylsulfinylmethanesulfonamide
CID 11960122
2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
CID 115898754
CID 68539443
CID 68539443

Frequently Asked Questions

What is the IUPAC name of [[(R)-methylsulfinyl]-phenylmethyl]benzene?
The IUPAC name of [[(R)-methylsulfinyl]-phenylmethyl]benzene (CID 124577636) is [[(R)-methylsulfinyl]-phenylmethyl]benzene.
What is the SMILES notation for [[(R)-methylsulfinyl]-phenylmethyl]benzene?
The canonical SMILES for [[(R)-methylsulfinyl]-phenylmethyl]benzene is C[S@@](=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(R)-methylsulfinyl]-phenylmethyl]benzene?
The InChIKey is FOPLXLNCFLRBDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C14H14OS/c1-16(15)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3/t16-/m1/s1.
What are the key properties of [[(R)-methylsulfinyl]-phenylmethyl]benzene?
[[(R)-methylsulfinyl]-phenylmethyl]benzene has a molecular weight of 230.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(R)-methylsulfinyl]-phenylmethyl]benzene is sourced from PubChem (CID 124577636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).