methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene

C19H26S — CID 159927452

IUPACmethane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene
SMILESC.Cc1cc(C)c(Sc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22S.CH4/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6;/h7-10H,1-6H3;1H4
InChIKeyNZEZGPITANQIDC-UHFFFAOYSA-N
MW286.48 g/mol
LogP6.32
Rot. Bonds2

About methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene

methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene (PubChem CID 159927452) has the molecular formula C19H26S and a molecular weight of 286.48 g/mol. Its IUPAC name is methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene.

Molecular Properties

Compound Namemethane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene
PubChem CID159927452
Molecular FormulaC19H26S
Molecular Weight286.48 g/mol
Exact Mass286.18
IUPAC Namemethane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene
SMILESC.Cc1cc(C)c(Sc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22S.CH4/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6;/h7-10H,1-6H3;1H4
InChIKeyNZEZGPITANQIDC-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.48
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;O-(2,4,6-trimethylphenyl)sulfanylhydroxylamine
CID 167522509
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
2-(2-iodophenyl)sulfanyl-1,3,5-trimethylbenzene
CID 91875706
2-(2,4,6-trimethylphenyl)sulfanylbenzonitrile
CID 91875705
3-(2,4,6-trimethylphenyl)sulfanylbenzonitrile
CID 91875694
1,3-bis(trifluoromethyl)benzene;1,3,5-trimethyl-2-phenylsulfanylbenzene
CID 162622706
N-[(2,4,6-trimethylphenyl)sulfanylmethyl]ethanamine
CID 117032851
2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
CID 116853499
CID 174602937
CID 174602937
2,4,6-trimethylbenzeneselenolate
CID 13099944
2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene
CID 102388798
2-nitro-4-(2,4,6-trimethylphenyl)sulfanylphenol
CID 70533087

Frequently Asked Questions

What is the IUPAC name of methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene?
The IUPAC name of methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene (CID 159927452) is methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene.
What is the SMILES notation for methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene?
The canonical SMILES for methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene is C.Cc1cc(C)c(Sc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene?
The InChIKey is NZEZGPITANQIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22S.CH4/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6;/h7-10H,1-6H3;1H4.
What are the key properties of methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene?
methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene has a molecular weight of 286.48 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfanylbenzene is sourced from PubChem (CID 159927452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).