1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene

C20H24S2 — CID 71401794

IUPAC1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene
SMILESCCCCC(=CSc1ccc(C)cc1)Sc1ccc(C)cc1
InChIInChI=1S/C20H24S2/c1-4-5-6-20(22-19-13-9-17(3)10-14-19)15-21-18-11-7-16(2)8-12-18/h7-15H,4-6H2,1-3H3
InChIKeyQMXXJAKWEDFVAB-UHFFFAOYSA-N
MW328.55 g/mol
LogP7.22
Rot. Bonds7

About 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene

1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene (PubChem CID 71401794) has the molecular formula C20H24S2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene
PubChem CID71401794
Molecular FormulaC20H24S2
Molecular Weight328.55 g/mol
Exact Mass328.13
IUPAC Name1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene
SMILESCCCCC(=CSc1ccc(C)cc1)Sc1ccc(C)cc1
InChIInChI=1S/C20H24S2/c1-4-5-6-20(22-19-13-9-17(3)10-14-19)15-21-18-11-7-16(2)8-12-18/h7-15H,4-6H2,1-3H3
InChIKeyQMXXJAKWEDFVAB-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.55
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-[(Z)-1-phenylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 134935365
1-[(Z)-2-(4-methylphenyl)sulfanyldec-1-enyl]imidazole
CID 53242920
(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol
CID 46177703
1-methoxy-4-[(E)-1-methylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 102086567
1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene
CID 134934599
phenyl N-phenyl-2-(phenylsulfanylmethylidene)hexanimidothioate
CID 67542990
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
S-(4-methylphenyl) 2-methylidenepentanethioate
CID 101096443
1-butylsulfanyl-4-methylbenzene;ethane
CID 145281456
tributyl-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]stannane
CID 135076440
(E)-3-phenylsulfanyldec-2-enal
CID 15529409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene?
The IUPAC name of 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene (CID 71401794) is 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene.
What is the SMILES notation for 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene?
The canonical SMILES for 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene is CCCCC(=CSc1ccc(C)cc1)Sc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene?
The InChIKey is QMXXJAKWEDFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S2/c1-4-5-6-20(22-19-13-9-17(3)10-14-19)15-21-18-11-7-16(2)8-12-18/h7-15H,4-6H2,1-3H3.
What are the key properties of 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene?
1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene has a molecular weight of 328.55 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene is sourced from PubChem (CID 71401794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).