[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene

C13H20O2S2 — CID 23251622

IUPAC[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene
SMILESCCCCCC[S@](=O)C[S@](=O)c1ccccc1
InChIInChI=1S/C13H20O2S2/c1-2-3-4-8-11-16(14)12-17(15)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyCURHWXQLDQILSR-IRXDYDNUSA-N
MW272.43 g/mol
LogP3.08
Rot. Bonds8

About [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene

[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene (PubChem CID 23251622) has the molecular formula C13H20O2S2 and a molecular weight of 272.43 g/mol. Its IUPAC name is [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene.

Molecular Properties

Compound Name[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene
PubChem CID23251622
Molecular FormulaC13H20O2S2
Molecular Weight272.43 g/mol
Exact Mass272.09
IUPAC Name[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene
SMILESCCCCCC[S@](=O)C[S@](=O)c1ccccc1
InChIInChI=1S/C13H20O2S2/c1-2-3-4-8-11-16(14)12-17(15)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3/t16-,17-/m0/s1
InChIKeyCURHWXQLDQILSR-IRXDYDNUSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.08
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

octadecylsulfinylbenzene
CID 10937741
6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
1-heptadecylsulfinylheptadecane
CID 54059826
1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529
2-pentylsulfinyl-1-phenylethanamine
CID 107758816
ethylsulfinylbenzene;palladium
CID 174712422
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
1-chloro-4-(decylsulfinylmethyl)benzene
CID 57212623
non-1-enylsulfinylbenzene
CID 71319651
2-hexylsulfinyl-3-phenylpropanoic acid
CID 60982355
4-(benzenesulfinyl)butylazanium chloride
CID 118514356

Frequently Asked Questions

What is the IUPAC name of [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene?
The IUPAC name of [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene (CID 23251622) is [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene.
What is the SMILES notation for [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene?
The canonical SMILES for [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene is CCCCCC[S@](=O)C[S@](=O)c1ccccc1.
What is the InChIKey of [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene?
The InChIKey is CURHWXQLDQILSR-IRXDYDNUSA-N. The full InChI is InChI=1S/C13H20O2S2/c1-2-3-4-8-11-16(14)12-17(15)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3/t16-,17-/m0/s1.
What are the key properties of [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene?
[(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene has a molecular weight of 272.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(S)-hexylsulfinyl]methylsulfinyl]benzene is sourced from PubChem (CID 23251622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).