1-ethenyl-2-prop-2-enylsulfanylbenzene

C11H12S — CID 69409682

IUPAC1-ethenyl-2-prop-2-enylsulfanylbenzene
SMILESC=CCSc1ccccc1C=C
InChIInChI=1S/C11H12S/c1-3-9-12-11-8-6-5-7-10(11)4-2/h3-8H,1-2,9H2
InChIKeyOMPRGLFORPSBOQ-UHFFFAOYSA-N
MW176.28 g/mol
LogP3.61
Rot. Bonds4

About 1-ethenyl-2-prop-2-enylsulfanylbenzene

1-ethenyl-2-prop-2-enylsulfanylbenzene (PubChem CID 69409682) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-ethenyl-2-prop-2-enylsulfanylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-prop-2-enylsulfanylbenzene
PubChem CID69409682
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name1-ethenyl-2-prop-2-enylsulfanylbenzene
SMILESC=CCSc1ccccc1C=C
InChIInChI=1S/C11H12S/c1-3-9-12-11-8-6-5-7-10(11)4-2/h3-8H,1-2,9H2
InChIKeyOMPRGLFORPSBOQ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Thiocresol
CID 8712
Dibenzyl sulfide
CID 10867
Benzyl methyl sulfide
CID 13016
2-Ethylbenzenethiol
CID 3734338
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Benzothiophene 1,1-dioxide
CID 69997
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Thioxanthene
CID 67495
Benzene, 1-methyl-3-(methylthio)-
CID 21005
Phenyl propyl sulfide
CID 13407
2-Phenyl-1,3-dithiane
CID 21547

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-prop-2-enylsulfanylbenzene?
The IUPAC name of 1-ethenyl-2-prop-2-enylsulfanylbenzene (CID 69409682) is 1-ethenyl-2-prop-2-enylsulfanylbenzene.
What is the SMILES notation for 1-ethenyl-2-prop-2-enylsulfanylbenzene?
The canonical SMILES for 1-ethenyl-2-prop-2-enylsulfanylbenzene is C=CCSc1ccccc1C=C.
What is the InChIKey of 1-ethenyl-2-prop-2-enylsulfanylbenzene?
The InChIKey is OMPRGLFORPSBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S/c1-3-9-12-11-8-6-5-7-10(11)4-2/h3-8H,1-2,9H2.
What are the key properties of 1-ethenyl-2-prop-2-enylsulfanylbenzene?
1-ethenyl-2-prop-2-enylsulfanylbenzene has a molecular weight of 176.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-prop-2-enylsulfanylbenzene is sourced from PubChem (CID 69409682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).