(E)-1-propylsulfanylbut-1-ene

C7H14S — CID 12664845

IUPAC(E)-1-propylsulfanylbut-1-ene
SMILESCC/C=C/SCCC
InChIInChI=1S/C7H14S/c1-3-5-7-8-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKeyHPLRSWLGWPYDCH-FNORWQNLSA-N
MW130.26 g/mol
LogP3.05
Rot. Bonds4

About (E)-1-propylsulfanylbut-1-ene

(E)-1-propylsulfanylbut-1-ene (PubChem CID 12664845) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (E)-1-propylsulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-1-propylsulfanylbut-1-ene
PubChem CID12664845
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(E)-1-propylsulfanylbut-1-ene
SMILESCC/C=C/SCCC
InChIInChI=1S/C7H14S/c1-3-5-7-8-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKeyHPLRSWLGWPYDCH-FNORWQNLSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 53.05
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

(Z)-1-ethylsulfanylbut-1-ene
CID 5463148
1-[(E)-prop-1-enyl]sulfanylpropane
CID 5366861
2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane
CID 88825199
2-but-1-enylsulfanylethyl(triethoxy)silane
CID 154418740
(E)-1-[(E)-but-1-enyl]sulfanylbut-1-ene
CID 12704062
(Z)-1-propylsulfanylbut-1-en-3-yne
CID 12590165
1-methylsulfanylbut-1-ene
CID 519416
S-[(Z)-but-1-enyl]thiohydroxylamine
CID 156570499
3-hexylsulfanylprop-2-en-1-ol
CID 54232710
1-[(Z)-prop-1-enyl]sulfanylbutane
CID 21160112
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265

Frequently Asked Questions

What is the IUPAC name of (E)-1-propylsulfanylbut-1-ene?
The IUPAC name of (E)-1-propylsulfanylbut-1-ene (CID 12664845) is (E)-1-propylsulfanylbut-1-ene.
What is the SMILES notation for (E)-1-propylsulfanylbut-1-ene?
The canonical SMILES for (E)-1-propylsulfanylbut-1-ene is CC/C=C/SCCC.
What is the InChIKey of (E)-1-propylsulfanylbut-1-ene?
The InChIKey is HPLRSWLGWPYDCH-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14S/c1-3-5-7-8-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (E)-1-propylsulfanylbut-1-ene?
(E)-1-propylsulfanylbut-1-ene has a molecular weight of 130.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-propylsulfanylbut-1-ene is sourced from PubChem (CID 12664845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).