1-methylsulfanyl-4-prop-2-enylbenzene

C10H12S — CID 2760094

IUPAC1-methylsulfanyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(SC)cc1
InChIInChI=1S/C10H12S/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKeyFQFCBQNZDATYJQ-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.14
Rot. Bonds3

About 1-methylsulfanyl-4-prop-2-enylbenzene

1-methylsulfanyl-4-prop-2-enylbenzene (PubChem CID 2760094) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-methylsulfanyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-prop-2-enylbenzene
PubChem CID2760094
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name1-methylsulfanyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(SC)cc1
InChIInChI=1S/C10H12S/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKeyFQFCBQNZDATYJQ-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.14
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

1-ethylsulfanyl-4-prop-2-enylbenzene
CID 2758925
1-fluoro-4-prop-2-enylbenzene;methanamine
CID 143096990
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
1-ethyl-4-methylsulfanylbenzene
CID 142218139
2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide
CID 110771195
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
(4-methylsulfanylphenyl)methanethiol
CID 14625012
1-phosphoroso-4-prop-2-enylbenzene
CID 174680484
1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene
CID 123358089
prop-2-enylbenzene
CID 159998516
CID 15984391
CID 15984391
bis(4-prop-2-enylphenyl)iodanium
CID 87130865

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-prop-2-enylbenzene?
The IUPAC name of 1-methylsulfanyl-4-prop-2-enylbenzene (CID 2760094) is 1-methylsulfanyl-4-prop-2-enylbenzene.
What is the SMILES notation for 1-methylsulfanyl-4-prop-2-enylbenzene?
The canonical SMILES for 1-methylsulfanyl-4-prop-2-enylbenzene is C=CCc1ccc(SC)cc1.
What is the InChIKey of 1-methylsulfanyl-4-prop-2-enylbenzene?
The InChIKey is FQFCBQNZDATYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3.
What are the key properties of 1-methylsulfanyl-4-prop-2-enylbenzene?
1-methylsulfanyl-4-prop-2-enylbenzene has a molecular weight of 164.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-prop-2-enylbenzene is sourced from PubChem (CID 2760094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).