[(R)-hex-5-ynylsulfinyl]benzene

C12H14OS — CID 125476852

IUPAC[(R)-hex-5-ynylsulfinyl]benzene
SMILESC#CCCCC[S@@](=O)c1ccccc1
InChIInChI=1S/C12H14OS/c1-2-3-4-8-11-14(13)12-9-6-5-7-10-12/h1,5-7,9-10H,3-4,8,11H2/t14-/m1/s1
InChIKeyYVXSGISZIMZCGM-CQSZACIVSA-N
MW206.31 g/mol
LogP2.60
Rot. Bonds5

About [(R)-hex-5-ynylsulfinyl]benzene

[(R)-hex-5-ynylsulfinyl]benzene (PubChem CID 125476852) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is [(R)-hex-5-ynylsulfinyl]benzene.

Molecular Properties

Compound Name[(R)-hex-5-ynylsulfinyl]benzene
PubChem CID125476852
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name[(R)-hex-5-ynylsulfinyl]benzene
SMILESC#CCCCC[S@@](=O)c1ccccc1
InChIInChI=1S/C12H14OS/c1-2-3-4-8-11-14(13)12-9-6-5-7-10-12/h1,5-7,9-10H,3-4,8,11H2/t14-/m1/s1
InChIKeyYVXSGISZIMZCGM-CQSZACIVSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(benzenesulfinyl)hexylsulfinylbenzene
CID 15525512
octadecylsulfinylbenzene
CID 10937741
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2-[(S)-phenylsulfinyl]ethanamine
CID 51410895
5,5,7,7-tetramethyloctylsulfinylbenzene
CID 143236575
3-(benzenesulfinyl)propyl-trimethoxysilane
CID 18512472
14-(benzenesulfinyl)-2,2-dichlorotetradecanoic acid
CID 10047802
iodozinc(1+);propylsulfinylbenzene
CID 14906269
1-[4-(benzenesulfinyl)butyl]imidazole
CID 58580469
5-(4-propan-2-ylphenyl)sulfinylpentanenitrile
CID 63791236
3-(benzenesulfinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64660415
2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
CID 21391051

Frequently Asked Questions

What is the IUPAC name of [(R)-hex-5-ynylsulfinyl]benzene?
The IUPAC name of [(R)-hex-5-ynylsulfinyl]benzene (CID 125476852) is [(R)-hex-5-ynylsulfinyl]benzene.
What is the SMILES notation for [(R)-hex-5-ynylsulfinyl]benzene?
The canonical SMILES for [(R)-hex-5-ynylsulfinyl]benzene is C#CCCCC[S@@](=O)c1ccccc1.
What is the InChIKey of [(R)-hex-5-ynylsulfinyl]benzene?
The InChIKey is YVXSGISZIMZCGM-CQSZACIVSA-N. The full InChI is InChI=1S/C12H14OS/c1-2-3-4-8-11-14(13)12-9-6-5-7-10-12/h1,5-7,9-10H,3-4,8,11H2/t14-/m1/s1.
What are the key properties of [(R)-hex-5-ynylsulfinyl]benzene?
[(R)-hex-5-ynylsulfinyl]benzene has a molecular weight of 206.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-hex-5-ynylsulfinyl]benzene is sourced from PubChem (CID 125476852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).