1-but-1-enylsulfanylbutane

C8H16S — CID 85404793

IUPAC1-but-1-enylsulfanylbutane
SMILESCCC=CSCCCC
InChIInChI=1S/C8H16S/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3
InChIKeyRUWFHGFTYZJZAP-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.44
Rot. Bonds5

About 1-but-1-enylsulfanylbutane

1-but-1-enylsulfanylbutane (PubChem CID 85404793) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 1-but-1-enylsulfanylbutane.

Molecular Properties

Compound Name1-but-1-enylsulfanylbutane
PubChem CID85404793
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name1-but-1-enylsulfanylbutane
SMILESCCC=CSCCCC
InChIInChI=1S/C8H16S/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3
InChIKeyRUWFHGFTYZJZAP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enylsulfanylbutane?
The IUPAC name of 1-but-1-enylsulfanylbutane (CID 85404793) is 1-but-1-enylsulfanylbutane.
What is the SMILES notation for 1-but-1-enylsulfanylbutane?
The canonical SMILES for 1-but-1-enylsulfanylbutane is CCC=CSCCCC.
What is the InChIKey of 1-but-1-enylsulfanylbutane?
The InChIKey is RUWFHGFTYZJZAP-UHFFFAOYSA-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.
What are the key properties of 1-but-1-enylsulfanylbutane?
1-but-1-enylsulfanylbutane 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-but-1-enylsulfanylbutane is sourced from PubChem (CID 85404793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).