8-sulfanyl-8-sulfanylideneoctanoic acid

C8H14O2S2 — CID 87685307

IUPAC8-sulfanyl-8-sulfanylideneoctanoic acid
SMILESO=C(O)CCCCCCC(=S)S
InChIInChI=1S/C8H14O2S2/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKeyUQXZWEUPEICNMT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.67
Rot. Bonds7

About 8-sulfanyl-8-sulfanylideneoctanoic acid

8-sulfanyl-8-sulfanylideneoctanoic acid (PubChem CID 87685307) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 8-sulfanyl-8-sulfanylideneoctanoic acid.

Molecular Properties

Compound Name8-sulfanyl-8-sulfanylideneoctanoic acid
PubChem CID87685307
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name8-sulfanyl-8-sulfanylideneoctanoic acid
SMILESO=C(O)CCCCCCC(=S)S
InChIInChI=1S/C8H14O2S2/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKeyUQXZWEUPEICNMT-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

39-sulfanyl-39-sulfanylidenenonatriacontanoic acid
CID 87684365
23-sulfanyl-23-sulfanylidenetricosanoic acid
CID 87680701
36-sulfanyl-36-sulfanylidenehexatriacontanoic acid
CID 87682590
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 8-sulfanyl-8-sulfanylideneoctanoic acid?
The IUPAC name of 8-sulfanyl-8-sulfanylideneoctanoic acid (CID 87685307) is 8-sulfanyl-8-sulfanylideneoctanoic acid.
What is the SMILES notation for 8-sulfanyl-8-sulfanylideneoctanoic acid?
The canonical SMILES for 8-sulfanyl-8-sulfanylideneoctanoic acid is O=C(O)CCCCCCC(=S)S.
What is the InChIKey of 8-sulfanyl-8-sulfanylideneoctanoic acid?
The InChIKey is UQXZWEUPEICNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12).
What are the key properties of 8-sulfanyl-8-sulfanylideneoctanoic acid?
8-sulfanyl-8-sulfanylideneoctanoic acid has a molecular weight of 206.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfanyl-8-sulfanylideneoctanoic acid is sourced from PubChem (CID 87685307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).