(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene

C8H14S — CID 12704062

IUPAC(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene
SMILESCC/C=C/S/C=C/CC
InChIInChI=1S/C8H14S/c1-3-5-7-9-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyGUQOANAENRIKKM-KQQUZDAGSA-N
MW142.27 g/mol
LogP3.57
Rot. Bonds4

About (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene

(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene (PubChem CID 12704062) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene
PubChem CID12704062
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene
SMILESCC/C=C/S/C=C/CC
InChIInChI=1S/C8H14S/c1-3-5-7-9-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyGUQOANAENRIKKM-KQQUZDAGSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene?
The IUPAC name of (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene (CID 12704062) is (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene.
What is the SMILES notation for (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene?
The canonical SMILES for (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene is CC/C=C/S/C=C/CC.
What is the InChIKey of (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene?
The InChIKey is GUQOANAENRIKKM-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H14S/c1-3-5-7-9-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene?
(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene has a molecular weight of 142.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene is sourced from PubChem (CID 12704062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).