1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene

C24H32O2S2 — CID 11718642

IUPAC1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene
SMILESCCCCCCCCC=C([S@@](=O)c1ccc(C)cc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C24H32O2S2/c1-4-5-6-7-8-9-10-11-24(27(25)22-16-12-20(2)13-17-22)28(26)23-18-14-21(3)15-19-23/h11-19H,4-10H2,1-3H3/t27-,28-/m0/s1
InChIKeyHSJXDPOZTQKBJC-NSOVKSMOSA-N
MW416.65 g/mol
LogP6.81
Rot. Bonds11

About 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene

1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene (PubChem CID 11718642) has the molecular formula C24H32O2S2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene
PubChem CID11718642
Molecular FormulaC24H32O2S2
Molecular Weight416.65 g/mol
Exact Mass416.18
IUPAC Name1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene
SMILESCCCCCCCCC=C([S@@](=O)c1ccc(C)cc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C24H32O2S2/c1-4-5-6-7-8-9-10-11-24(27(25)22-16-12-20(2)13-17-22)28(26)23-18-14-21(3)15-19-23/h11-19H,4-10H2,1-3H3/t27-,28-/m0/s1
InChIKeyHSJXDPOZTQKBJC-NSOVKSMOSA-N
XLogP6.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

SC-57666
CID 443373
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
p-Tolyl methyl sulfone
CID 18521
Methyl 4-methylphenylsulfoxide
CID 136743
4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
1,3,5-Trimethyl-2-(4-methylphenyl)sulfonylbenzene
CID 272513
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Ditosylmethane
CID 275690
Benzene, 1-methyl-4-(phenylthio)-
CID 138011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene?
The IUPAC name of 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene (CID 11718642) is 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene.
What is the SMILES notation for 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene?
The canonical SMILES for 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene is CCCCCCCCC=C([S@@](=O)c1ccc(C)cc1)[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene?
The InChIKey is HSJXDPOZTQKBJC-NSOVKSMOSA-N. The full InChI is InChI=1S/C24H32O2S2/c1-4-5-6-7-8-9-10-11-24(27(25)22-16-12-20(2)13-17-22)28(26)23-18-14-21(3)15-19-23/h11-19H,4-10H2,1-3H3/t27-,28-/m0/s1.
What are the key properties of 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene?
1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene has a molecular weight of 416.65 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-1-enylsulfinyl]benzene is sourced from PubChem (CID 11718642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).