1-[(E)-but-1-enyl]sulfanylbutane

C8H16S — CID 11116182

IUPAC1-[(E)-but-1-enyl]sulfanylbutane
SMILESCC/C=C/SCCCC
InChIInChI=1S/C8H16S/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyRUWFHGFTYZJZAP-FNORWQNLSA-N
MW144.28 g/mol
LogP3.44
Rot. Bonds5

About 1-[(E)-but-1-enyl]sulfanylbutane

1-[(E)-but-1-enyl]sulfanylbutane (PubChem CID 11116182) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]sulfanylbutane.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]sulfanylbutane
PubChem CID11116182
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name1-[(E)-but-1-enyl]sulfanylbutane
SMILESCC/C=C/SCCCC
InChIInChI=1S/C8H16S/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyRUWFHGFTYZJZAP-FNORWQNLSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Methylthio)-1-butene, (1E)-
CID 5368103
1-Propenyl propyl sulfide
CID 5366861
1-(1-Propenylthio)propyl propyl disulfide
CID 5352790
2,3-Dihydro-2-methylthiophene
CID 22054765
1-Buten-1-yl methyl sulfide
CID 519416
6-Ethyl-4,5,7-trithia-2,8-decadiene
CID 5352375
Sulfide, allyl pentyl
CID 525486
1-Propenyl 1-(1-propenylthio)propyl disulfide
CID 131752500
5-Methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene
CID 163192635
Propyl propenyl sulfide
CID 554181
5-Methyl-4,7-dithia-1,9-decadiene
CID 6428997
Butenyl sulfide
CID 53858215

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]sulfanylbutane?
The IUPAC name of 1-[(E)-but-1-enyl]sulfanylbutane (CID 11116182) is 1-[(E)-but-1-enyl]sulfanylbutane.
What is the SMILES notation for 1-[(E)-but-1-enyl]sulfanylbutane?
The canonical SMILES for 1-[(E)-but-1-enyl]sulfanylbutane is CC/C=C/SCCCC.
What is the InChIKey of 1-[(E)-but-1-enyl]sulfanylbutane?
The InChIKey is RUWFHGFTYZJZAP-FNORWQNLSA-N. The full InChI is InChI=1S/C8H16S/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of 1-[(E)-but-1-enyl]sulfanylbutane?
1-[(E)-but-1-enyl]sulfanylbutane has a molecular weight of 144.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]sulfanylbutane is sourced from PubChem (CID 11116182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).