(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene

C8H12S — CID 145179900

IUPAC(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene
SMILESC=CC(=C)S/C(C)=C/C
InChIInChI=1S/C8H12S/c1-5-7(3)9-8(4)6-2/h5-6H,1,3H2,2,4H3/b8-6+
InChIKeyXOFKUBNPPXFKFU-SOFGYWHQSA-N
MW140.25 g/mol
LogP3.34
Rot. Bonds3

About (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene

(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene (PubChem CID 145179900) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene.

Molecular Properties

Compound Name(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene
PubChem CID145179900
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene
SMILESC=CC(=C)S/C(C)=C/C
InChIInChI=1S/C8H12S/c1-5-7(3)9-8(4)6-2/h5-6H,1,3H2,2,4H3/b8-6+
InChIKeyXOFKUBNPPXFKFU-SOFGYWHQSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-but-2-en-2-yl]sulfanyl-3-methylbut-1-ene
CID 155737131
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
2-(prop-1-en-2-yldisulfanyl)but-2-ene
CID 123927518
chloroethene;2-methylprop-1-ene
CID 87141348
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene
CID 134402901
5-[1-[(Z)-but-2-en-2-yl]sulfanylethenyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 146617592
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
2-[(Z)-3-buta-1,3-dien-2-ylsulfanylbut-2-en-2-yl]pyridine
CID 155095870
(Z)-2-[(Z)-but-2-en-2-yl]sulfanylbut-2-en-1-amine
CID 177320214
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
CID 19070332
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098

Frequently Asked Questions

What is the IUPAC name of (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene?
The IUPAC name of (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene (CID 145179900) is (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene.
What is the SMILES notation for (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene?
The canonical SMILES for (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene is C=CC(=C)S/C(C)=C/C.
What is the InChIKey of (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene?
The InChIKey is XOFKUBNPPXFKFU-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12S/c1-5-7(3)9-8(4)6-2/h5-6H,1,3H2,2,4H3/b8-6+.
What are the key properties of (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene?
(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene has a molecular weight of 140.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene is sourced from PubChem (CID 145179900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).