octadecylsulfinylbenzene

C24H42OS — CID 10937741

IUPACoctadecylsulfinylbenzene
SMILESCCCCCCCCCCCCCCCCCCS(=O)c1ccccc1
InChIInChI=1S/C24H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(25)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
InChIKeyYDYGJQFGBZGAQN-UHFFFAOYSA-N
MW378.67 g/mol
LogP8.06
Rot. Bonds18

About octadecylsulfinylbenzene

octadecylsulfinylbenzene (PubChem CID 10937741) has the molecular formula C24H42OS and a molecular weight of 378.67 g/mol. Its IUPAC name is octadecylsulfinylbenzene.

Molecular Properties

Compound Nameoctadecylsulfinylbenzene
PubChem CID10937741
Molecular FormulaC24H42OS
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Nameoctadecylsulfinylbenzene
SMILESCCCCCCCCCCCCCCCCCCS(=O)c1ccccc1
InChIInChI=1S/C24H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(25)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
InChIKeyYDYGJQFGBZGAQN-UHFFFAOYSA-N
XLogP8.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene
CID 23251622
1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529
4-(benzenesulfinyl)butylazanium chloride
CID 118514356
1-bromo-4-[(S)-butylsulfinyl]benzene
CID 124588146
3-hexylsulfinylnaphthalen-1-ol
CID 91900118
[(R)-hex-5-ynylsulfinyl]benzene
CID 125476852
5,5,7,7-tetramethyloctylsulfinylbenzene
CID 143236575
3-(benzenesulfinyl)propyl-trimethoxysilane
CID 18512472
1-bromo-3-[(S)-butylsulfinyl]benzene
CID 95969928
ethylsulfinylbenzene;palladium
CID 174712422
14-(benzenesulfinyl)-2,2-dichlorotetradecanoic acid
CID 10047802

Frequently Asked Questions

What is the IUPAC name of octadecylsulfinylbenzene?
The IUPAC name of octadecylsulfinylbenzene (CID 10937741) is octadecylsulfinylbenzene.
What is the SMILES notation for octadecylsulfinylbenzene?
The canonical SMILES for octadecylsulfinylbenzene is CCCCCCCCCCCCCCCCCCS(=O)c1ccccc1.
What is the InChIKey of octadecylsulfinylbenzene?
The InChIKey is YDYGJQFGBZGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(25)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3.
What are the key properties of octadecylsulfinylbenzene?
octadecylsulfinylbenzene has a molecular weight of 378.67 g/mol, XLogP of 8.06, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecylsulfinylbenzene is sourced from PubChem (CID 10937741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).