[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene

C11H14S3 — CID 134996556

IUPAC[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene
SMILESCCS/C(=C/c1ccccc1)SSC
InChIInChI=1S/C11H14S3/c1-3-13-11(14-12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9-
InChIKeyKRVYTJBJCHPOAM-LUAWRHEFSA-N
MW242.43 g/mol
LogP4.75
Rot. Bonds5

About [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene

[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene (PubChem CID 134996556) has the molecular formula C11H14S3 and a molecular weight of 242.43 g/mol. Its IUPAC name is [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene
PubChem CID134996556
Molecular FormulaC11H14S3
Molecular Weight242.43 g/mol
Exact Mass242.03
IUPAC Name[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene
SMILESCCS/C(=C/c1ccccc1)SSC
InChIInChI=1S/C11H14S3/c1-3-13-11(14-12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9-
InChIKeyKRVYTJBJCHPOAM-LUAWRHEFSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-3-phenylprop-2-enoic acid
CID 57205662
[(E)-2-methylsulfanylbut-1-enyl]benzene
CID 134994915
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
ethyl 2-methylsulfanyl-3-phenylprop-2-enoate
CID 71381071
[(E)-2-bromobut-1-enyl]benzene
CID 15418577
(2-bromo-2-methylsulfanylethenyl)benzene
CID 71358341
[(E)-2-bromo-2-methylsulfanylethenyl]benzene
CID 11770236
[(1E,3Z)-4-ethylsulfanyl-5,5,5-trifluoropenta-1,3-dienyl]benzene
CID 15254375
2,2-dibromo(113C)ethenylbenzene
CID 131856077
2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
CID 86040735
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
(Z)-1-methoxy-2-phenylethenethiol
CID 12543362

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene?
The IUPAC name of [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene (CID 134996556) is [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene.
What is the SMILES notation for [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene?
The canonical SMILES for [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene is CCS/C(=C/c1ccccc1)SSC.
What is the InChIKey of [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene?
The InChIKey is KRVYTJBJCHPOAM-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H14S3/c1-3-13-11(14-12-2)9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b11-9-.
What are the key properties of [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene?
[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene has a molecular weight of 242.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene is sourced from PubChem (CID 134996556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).