1-ethylsulfanyl-4-hex-5-en-3-ylbenzene

C14H20S — CID 83935882

IUPAC1-ethylsulfanyl-4-hex-5-en-3-ylbenzene
SMILESC=CCC(CC)c1ccc(SCC)cc1
InChIInChI=1S/C14H20S/c1-4-7-12(5-2)13-8-10-14(11-9-13)15-6-3/h4,8-12H,1,5-7H2,2-3H3
InChIKeyCRGFTMUOICBJLH-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.87
Rot. Bonds6

About 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene

1-ethylsulfanyl-4-hex-5-en-3-ylbenzene (PubChem CID 83935882) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-hex-5-en-3-ylbenzene
PubChem CID83935882
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name1-ethylsulfanyl-4-hex-5-en-3-ylbenzene
SMILESC=CCC(CC)c1ccc(SCC)cc1
InChIInChI=1S/C14H20S/c1-4-7-12(5-2)13-8-10-14(11-9-13)15-6-3/h4,8-12H,1,5-7H2,2-3H3
InChIKeyCRGFTMUOICBJLH-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene 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

(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
1-butyl-4-hex-5-en-3-ylbenzene
CID 83921804
methyl 4-[(3R)-hex-5-en-3-yl]benzoate
CID 129405819
1-ethylsulfanyl-4-prop-2-enylbenzene
CID 2758925
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
1-pentan-3-yl-4-[(4-pentan-3-ylphenyl)disulfanyl]benzene
CID 57099272
2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene
CID 83939238
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine
CID 106850536
4-hex-5-en-3-yl-1,2-dipropoxybenzene
CID 83932033
1-ethylsulfanyl-4-hex-5-enylbenzene
CID 143817535

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene?
The IUPAC name of 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene (CID 83935882) is 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene.
What is the SMILES notation for 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene?
The canonical SMILES for 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene is C=CCC(CC)c1ccc(SCC)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene?
The InChIKey is CRGFTMUOICBJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-4-7-12(5-2)13-8-10-14(11-9-13)15-6-3/h4,8-12H,1,5-7H2,2-3H3.
What are the key properties of 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene?
1-ethylsulfanyl-4-hex-5-en-3-ylbenzene has a molecular weight of 220.38 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-hex-5-en-3-ylbenzene is sourced from PubChem (CID 83935882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).