sodium;hydride;4-sulfanylidenebutanal

C4H7NaOS — CID 173270805

IUPACsodium;hydride;4-sulfanylidenebutanal
SMILESO=CCCC=S.[H-].[Na+]
InChIInChI=1S/C4H6OS.Na.H/c5-3-1-2-4-6;;/h3-4H,1-2H2;;/q;+1;-1
InChIKeyMRFDXGSUOQYKPW-UHFFFAOYSA-N
MW126.16 g/mol
LogP-1.92
Rot. Bonds3

About sodium;hydride;4-sulfanylidenebutanal

sodium;hydride;4-sulfanylidenebutanal (PubChem CID 173270805) has the molecular formula C4H7NaOS and a molecular weight of 126.16 g/mol. Its IUPAC name is sodium;hydride;4-sulfanylidenebutanal.

Molecular Properties

Compound Namesodium;hydride;4-sulfanylidenebutanal
PubChem CID173270805
Molecular FormulaC4H7NaOS
Molecular Weight126.16 g/mol
Exact Mass126.01
IUPAC Namesodium;hydride;4-sulfanylidenebutanal
SMILESO=CCCC=S.[H-].[Na+]
InChIInChI=1S/C4H6OS.Na.H/c5-3-1-2-4-6;;/h3-4H,1-2H2;;/q;+1;-1
InChIKeyMRFDXGSUOQYKPW-UHFFFAOYSA-N
XLogP-1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', '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

(E)-oct-4-enedial
CID 5283333
sodium;hydride;2-iodoacetaldehyde
CID 174174219
butanedial;phosphoric acid
CID 138592016
pent-4-enal
CID 16418
sodium;hydride;propanedial
CID 173359182
magnesium;butanal;hydride
CID 173011823
lithium;butanal;hydride
CID 172997577
pentadecanedial
CID 22887412
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
(Z)-5-hydroxypent-4-enal
CID 142394986
CID 173083540
CID 173083540

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-sulfanylidenebutanal?
The IUPAC name of sodium;hydride;4-sulfanylidenebutanal (CID 173270805) is sodium;hydride;4-sulfanylidenebutanal.
What is the SMILES notation for sodium;hydride;4-sulfanylidenebutanal?
The canonical SMILES for sodium;hydride;4-sulfanylidenebutanal is O=CCCC=S.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-sulfanylidenebutanal?
The InChIKey is MRFDXGSUOQYKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS.Na.H/c5-3-1-2-4-6;;/h3-4H,1-2H2;;/q;+1;-1.
What are the key properties of sodium;hydride;4-sulfanylidenebutanal?
sodium;hydride;4-sulfanylidenebutanal has a molecular weight of 126.16 g/mol, XLogP of -1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-sulfanylidenebutanal is sourced from PubChem (CID 173270805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).