[(Z)-hex-1-enyl]sulfinylbenzene

C12H16OS — CID 11275798

IUPAC[(Z)-hex-1-enyl]sulfinylbenzene
SMILESCCCC/C=C\S(=O)c1ccccc1
InChIInChI=1S/C12H16OS/c1-2-3-4-8-11-14(13)12-9-6-5-7-10-12/h5-11H,2-4H2,1H3/b11-8-
InChIKeyUKUPKKJCPHZBSP-FLIBITNWSA-N
MW208.33 g/mol
LogP3.50
Rot. Bonds5

About [(Z)-hex-1-enyl]sulfinylbenzene

[(Z)-hex-1-enyl]sulfinylbenzene (PubChem CID 11275798) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is [(Z)-hex-1-enyl]sulfinylbenzene.

Molecular Properties

Compound Name[(Z)-hex-1-enyl]sulfinylbenzene
PubChem CID11275798
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name[(Z)-hex-1-enyl]sulfinylbenzene
SMILESCCCC/C=C\S(=O)c1ccccc1
InChIInChI=1S/C12H16OS/c1-2-3-4-8-11-14(13)12-9-6-5-7-10-12/h5-11H,2-4H2,1H3/b11-8-
InChIKeyUKUPKKJCPHZBSP-FLIBITNWSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z)-hex-1-enyl]sulfinylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

non-1-enylsulfinylbenzene
CID 71319651
hepta-1,2-dienylsulfinylbenzene
CID 11470056
1-methyl-4-[(R)-[(1E,3Z)-octa-1,3-dienyl]sulfinyl]benzene
CID 11118430
[(3E)-octa-1,3-dien-2-yl]sulfinylbenzene
CID 46928436
[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
CID 138974661
2-[(E)-pentadec-1-enyl]sulfinylnaphthalene-1,4-diol
CID 91900106
1-methylsulfinyloctadec-1-ene
CID 54362991
octadecylsulfinylbenzene
CID 10937741
hex-1-enyl(diphenyl)phosphane
CID 71345520
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
1-(benzenesulfinyl)octa-2,3-dienylbenzene
CID 174688348
hex-1-enylbenzene;prop-1-ene
CID 157442084

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-1-enyl]sulfinylbenzene?
The IUPAC name of [(Z)-hex-1-enyl]sulfinylbenzene (CID 11275798) is [(Z)-hex-1-enyl]sulfinylbenzene.
What is the SMILES notation for [(Z)-hex-1-enyl]sulfinylbenzene?
The canonical SMILES for [(Z)-hex-1-enyl]sulfinylbenzene is CCCC/C=C\S(=O)c1ccccc1.
What is the InChIKey of [(Z)-hex-1-enyl]sulfinylbenzene?
The InChIKey is UKUPKKJCPHZBSP-FLIBITNWSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-3-4-8-11-14(13)12-9-6-5-7-10-12/h5-11H,2-4H2,1H3/b11-8-.
What are the key properties of [(Z)-hex-1-enyl]sulfinylbenzene?
[(Z)-hex-1-enyl]sulfinylbenzene has a molecular weight of 208.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-1-enyl]sulfinylbenzene is sourced from PubChem (CID 11275798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).