1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene

C28H26S — CID 141458564

IUPAC1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
SMILESCc1ccccc1C(SC(c1ccccc1)c1ccccc1C)c1ccccc1
InChIInChI=1S/C28H26S/c1-21-13-9-11-19-25(21)27(23-15-5-3-6-16-23)29-28(24-17-7-4-8-18-24)26-20-12-10-14-22(26)2/h3-20,27-28H,1-2H3
InChIKeyBDJKHQPCDWMVHH-UHFFFAOYSA-N
MW394.58 g/mol
LogP7.92
Rot. Bonds6

About 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene

1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene (PubChem CID 141458564) has the molecular formula C28H26S and a molecular weight of 394.58 g/mol. Its IUPAC name is 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
PubChem CID141458564
Molecular FormulaC28H26S
Molecular Weight394.58 g/mol
Exact Mass394.18
IUPAC Name1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
SMILESCc1ccccc1C(SC(c1ccccc1)c1ccccc1C)c1ccccc1
InChIInChI=1S/C28H26S/c1-21-13-9-11-19-25(21)27(23-15-5-3-6-16-23)29-28(24-17-7-4-8-18-24)26-20-12-10-14-22(26)2/h3-20,27-28H,1-2H3
InChIKeyBDJKHQPCDWMVHH-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
(2-methylphenyl)-phenylmethanamine
CID 15254157
1-chloro-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]benzene
CID 134849298
2-ethyl-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfanylmethyl]-1,3,4-oxadiazole
CID 97320755
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
CID 66989853
CID 66989853
CID 19362082
CID 19362082
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
N-ethyl-5-[(S)-(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 35500116
2-methoxy-4-[[(3-methoxy-4-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]-1-methylbenzene
CID 156695520
2-[(2-methylphenyl)-methylsulfanylmethyl]benzoic acid
CID 86215100
bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene?
The IUPAC name of 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene (CID 141458564) is 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene.
What is the SMILES notation for 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene?
The canonical SMILES for 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene is Cc1ccccc1C(SC(c1ccccc1)c1ccccc1C)c1ccccc1.
What is the InChIKey of 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene?
The InChIKey is BDJKHQPCDWMVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26S/c1-21-13-9-11-19-25(21)27(23-15-5-3-6-16-23)29-28(24-17-7-4-8-18-24)26-20-12-10-14-22(26)2/h3-20,27-28H,1-2H3.
What are the key properties of 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene?
1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene has a molecular weight of 394.58 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene is sourced from PubChem (CID 141458564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).