(E)-1-(butan-2-yldisulfanyl)but-1-ene

C8H16S2 — CID 11636908

IUPAC(E)-1-(butan-2-yldisulfanyl)but-1-ene
SMILESCC/C=C/SSC(C)CC
InChIInChI=1S/C8H16S2/c1-4-6-7-9-10-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyFRHITHLONVCSDB-VOTSOKGWSA-N
MW176.35 g/mol
LogP4.09
Rot. Bonds5

About (E)-1-(butan-2-yldisulfanyl)but-1-ene

(E)-1-(butan-2-yldisulfanyl)but-1-ene (PubChem CID 11636908) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is (E)-1-(butan-2-yldisulfanyl)but-1-ene.

Molecular Properties

Compound Name(E)-1-(butan-2-yldisulfanyl)but-1-ene
PubChem CID11636908
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name(E)-1-(butan-2-yldisulfanyl)but-1-ene
SMILESCC/C=C/SSC(C)CC
InChIInChI=1S/C8H16S2/c1-4-6-7-9-10-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyFRHITHLONVCSDB-VOTSOKGWSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-methyl-1-butenyl disulfide
CID 71587664
4-[(But-3-en-1-yl)disulfanyl]but-1-ene
CID 71393173
1-(Hex-2-enyldisulfanyl)hex-2-ene
CID 149911294
3-[(Hexa-1,4-dien-3-yl)disulfanyl]hexa-1,4-diene
CID 57357963
(E)-1-[[(E)-hex-2-enyl]disulfanyl]hex-2-ene
CID 101950021
6-(Hex-5-enyldisulfanyl)hex-1-ene
CID 57200305
(E)-4-[[(E)-hex-4-en-3-yl]disulfanyl]hex-2-ene
CID 129712290
n-Butyl crotyl disulfide
CID 129651424
3-(Prop-2-enyldisulfanyl)pentane
CID 163195820
1-Allyl-3-(2-(allyldisulfanyl)propyl)trisulfane
CID 14223536
Butenyl sulfide
CID 53858215
6-Methyl-4,5,8,9-tetrathiadodeca-1,11-diene
CID 14223530

Frequently Asked Questions

What is the IUPAC name of (E)-1-(butan-2-yldisulfanyl)but-1-ene?
The IUPAC name of (E)-1-(butan-2-yldisulfanyl)but-1-ene (CID 11636908) is (E)-1-(butan-2-yldisulfanyl)but-1-ene.
What is the SMILES notation for (E)-1-(butan-2-yldisulfanyl)but-1-ene?
The canonical SMILES for (E)-1-(butan-2-yldisulfanyl)but-1-ene is CC/C=C/SSC(C)CC.
What is the InChIKey of (E)-1-(butan-2-yldisulfanyl)but-1-ene?
The InChIKey is FRHITHLONVCSDB-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16S2/c1-4-6-7-9-10-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-1-(butan-2-yldisulfanyl)but-1-ene?
(E)-1-(butan-2-yldisulfanyl)but-1-ene has a molecular weight of 176.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(butan-2-yldisulfanyl)but-1-ene is sourced from PubChem (CID 11636908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).