1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene

C28H38S — CID 141375950

IUPAC1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene
SMILESCC1CCCCC1Cc1ccccc1Sc1ccccc1CC1CCCCC1C
InChIInChI=1S/C28H38S/c1-21-11-3-5-13-23(21)19-25-15-7-9-17-27(25)29-28-18-10-8-16-26(28)20-24-14-6-4-12-22(24)2/h7-10,15-18,21-24H,3-6,11-14,19-20H2,1-2H3
InChIKeyILNBZUNNUFFHIE-UHFFFAOYSA-N
MW406.68 g/mol
LogP8.58
Rot. Bonds6

About 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene

1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene (PubChem CID 141375950) has the molecular formula C28H38S and a molecular weight of 406.68 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene
PubChem CID141375950
Molecular FormulaC28H38S
Molecular Weight406.68 g/mol
Exact Mass406.27
IUPAC Name1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene
SMILESCC1CCCCC1Cc1ccccc1Sc1ccccc1CC1CCCCC1C
InChIInChI=1S/C28H38S/c1-21-11-3-5-13-23(21)19-25-15-7-9-17-27(25)29-28-18-10-8-16-26(28)20-24-14-6-4-12-22(24)2/h7-10,15-18,21-24H,3-6,11-14,19-20H2,1-2H3
InChIKeyILNBZUNNUFFHIE-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene
CID 143070757
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468
1-[(2-methylcyclohexyl)methyl]naphthalene
CID 91507555
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
CID 163743067
1-[(2-methylcyclohexyl)methyl]-3-[3-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene
CID 141375926
3-[(1S,2R)-2-methylcyclopentyl]prop-1-ynylbenzene
CID 101086252
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene (CID 141375950) is 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene is CC1CCCCC1Cc1ccccc1Sc1ccccc1CC1CCCCC1C.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene?
The InChIKey is ILNBZUNNUFFHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38S/c1-21-11-3-5-13-23(21)19-25-15-7-9-17-27(25)29-28-18-10-8-16-26(28)20-24-14-6-4-12-22(24)2/h7-10,15-18,21-24H,3-6,11-14,19-20H2,1-2H3.
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene?
1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene has a molecular weight of 406.68 g/mol, XLogP of 8.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene is sourced from PubChem (CID 141375950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).