3-sulfanylidenedecanal

C10H18OS — CID 57458817

IUPAC3-sulfanylidenedecanal
SMILESCCCCCCCC(=S)CC=O
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-7-10(12)8-9-11/h9H,2-8H2,1H3
InChIKeyIDDFXTIPTDPJNL-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.31
Rot. Bonds8

About 3-sulfanylidenedecanal

3-sulfanylidenedecanal (PubChem CID 57458817) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-sulfanylidenedecanal.

Molecular Properties

Compound Name3-sulfanylidenedecanal
PubChem CID57458817
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-sulfanylidenedecanal
SMILESCCCCCCCC(=S)CC=O
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-7-10(12)8-9-11/h9H,2-8H2,1H3
InChIKeyIDDFXTIPTDPJNL-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

tridecane-7-thione
CID 13433382
tricosane-12-thione
CID 175705265
3-oxononadecanal
CID 87605711
2-sulfanylidenenonanal
CID 173275971
octadecane-9,10-dithione
CID 118647989
disodium;3-oxohexadecanal;sulfite
CID 174494045
3-oxononanal;2,2,2-trifluoroacetic acid
CID 175249299
19-methylideneheptatriacontane;titanium
CID 174477367
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
formic acid;henicosane-7,12-dione
CID 175044766
9-oxotetradecanal
CID 13272684
4-hexyldec-3-enal
CID 122396286

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylidenedecanal?
The IUPAC name of 3-sulfanylidenedecanal (CID 57458817) is 3-sulfanylidenedecanal.
What is the SMILES notation for 3-sulfanylidenedecanal?
The canonical SMILES for 3-sulfanylidenedecanal is CCCCCCCC(=S)CC=O.
What is the InChIKey of 3-sulfanylidenedecanal?
The InChIKey is IDDFXTIPTDPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-5-6-7-10(12)8-9-11/h9H,2-8H2,1H3.
What are the key properties of 3-sulfanylidenedecanal?
3-sulfanylidenedecanal has a molecular weight of 186.32 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidenedecanal is sourced from PubChem (CID 57458817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).