(E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene

C8H14S — CID 10964626

IUPAC(E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene
SMILESC/C=C/CSC/C=C/C
InChIInChI=1S/C8H14S/c1-3-5-7-9-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyGGZYULLMICUYQL-GGWOSOGESA-N
MW142.27 g/mol
LogP2.87
Rot. Bonds4

About (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene

(E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene (PubChem CID 10964626) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene.

Molecular Properties

Compound Name(E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene
PubChem CID10964626
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene
SMILESC/C=C/CSC/C=C/C
InChIInChI=1S/C8H14S/c1-3-5-7-9-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyGGZYULLMICUYQL-GGWOSOGESA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diallyl Sulfide
CID 11617
Allyl methyl sulfide
CID 66282
3-(Propylthio)propene
CID 98781
1-Propene-1-one, 3-(ethylthio)-
CID 123229
Allyl sec-butyl sulfide
CID 144394
5,5-Dimethyl-4-thia-1-hexene
CID 142217
Allyl isopropyl sulfide
CID 521309
Sulfide, allyl pentyl
CID 525486
trans-1-(Methylthio)-2-butene
CID 5364390
(E)-Ethyl-1-propenylsulfide
CID 5463369
Ethyl crotyl sulfide
CID 145498
1-[(But-2-en-1-yl)sulfanyl]but-2-ene
CID 53837915

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene?
The IUPAC name of (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene (CID 10964626) is (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene.
What is the SMILES notation for (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene?
The canonical SMILES for (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene is C/C=C/CSC/C=C/C.
What is the InChIKey of (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene?
The InChIKey is GGZYULLMICUYQL-GGWOSOGESA-N. The full InChI is InChI=1S/C8H14S/c1-3-5-7-9-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene?
(E)-1-[(E)-but-2-enyl]sulfanylbut-2-ene has a molecular weight of 142.27 g/mol, XLogP of 2.87, 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-2-enyl]sulfanylbut-2-ene is sourced from PubChem (CID 10964626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).