ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene

C22H38S — CID 123790982

IUPACethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
SMILESCC.CC.CC.CC.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C14H14S.4C2H6/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;4*1-2/h3-10H,1-2H3;4*1-2H3
InChIKeyUOXISUALODDMME-UHFFFAOYSA-N
MW334.61 g/mol
LogP8.56
Rot. Bonds2

About ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene

ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene (PubChem CID 123790982) has the molecular formula C22H38S and a molecular weight of 334.61 g/mol. Its IUPAC name is ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
PubChem CID123790982
Molecular FormulaC22H38S
Molecular Weight334.61 g/mol
Exact Mass334.27
IUPAC Nameethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
SMILESCC.CC.CC.CC.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C14H14S.4C2H6/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;4*1-2/h3-10H,1-2H3;4*1-2H3
InChIKeyUOXISUALODDMME-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.61
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-methylphenyl)aniline
CID 18996742
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
5-(4-methylphenyl)sulfanylbenzene-1,3-diamine
CID 139969677
1-methyl-4-(4-nitrosophenyl)sulfanylbenzene
CID 142040768
1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-propylsulfanylpropane
CID 159933964
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
3,5-bis[(4-methylphenyl)sulfanyl]benzenethiol
CID 15418230
CID 70548130
CID 70548130
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
1,4-difluoro-2,3-bis[(4-methylphenyl)sulfanyl]benzene
CID 102478519
3-(4-methylphenyl)sulfanylbenzenethiol
CID 126723170

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
The IUPAC name of ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene (CID 123790982) is ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene.
What is the SMILES notation for ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
The canonical SMILES for ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene is CC.CC.CC.CC.Cc1ccc(Sc2ccc(C)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
The InChIKey is UOXISUALODDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S.4C2H6/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;4*1-2/h3-10H,1-2H3;4*1-2H3.
What are the key properties of ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene has a molecular weight of 334.61 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 123790982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).