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

C8H16S2 — CID 11701129

IUPAC(Z)-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-SREVYHEPSA-N
MW176.35 g/mol
LogP4.09
Rot. Bonds5

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

(Z)-1-(butan-2-yldisulfanyl)but-1-ene (PubChem CID 11701129) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is (Z)-1-(butan-2-yldisulfanyl)but-1-ene.

Molecular Properties

Compound Name(Z)-1-(butan-2-yldisulfanyl)but-1-ene
PubChem CID11701129
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name(Z)-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-SREVYHEPSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(butan-2-yldisulfanyl)but-1-ene?
The IUPAC name of (Z)-1-(butan-2-yldisulfanyl)but-1-ene (CID 11701129) is (Z)-1-(butan-2-yldisulfanyl)but-1-ene.
What is the SMILES notation for (Z)-1-(butan-2-yldisulfanyl)but-1-ene?
The canonical SMILES for (Z)-1-(butan-2-yldisulfanyl)but-1-ene is CC/C=C\SSC(C)CC.
What is the InChIKey of (Z)-1-(butan-2-yldisulfanyl)but-1-ene?
The InChIKey is FRHITHLONVCSDB-SREVYHEPSA-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 (Z)-1-(butan-2-yldisulfanyl)but-1-ene?
(Z)-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 (Z)-1-(butan-2-yldisulfanyl)but-1-ene is sourced from PubChem (CID 11701129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).