ethyl-hexyl-imino-oxo-λ6-sulfane

C8H19NOS — CID 134895845

IUPACethyl-hexyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)CCCCCC
InChIInChI=1S/C8H19NOS/c1-3-5-6-7-8-11(9,10)4-2/h9H,3-8H2,1-2H3
InChIKeyPVLFCZRSHNYVPD-UHFFFAOYSA-N
MW177.31 g/mol
LogP2.63
Rot. Bonds6

About ethyl-hexyl-imino-oxo-λ6-sulfane

ethyl-hexyl-imino-oxo-λ6-sulfane (PubChem CID 134895845) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethyl-hexyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-hexyl-imino-oxo-λ6-sulfane
PubChem CID134895845
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethyl-hexyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)CCCCCC
InChIInChI=1S/C8H19NOS/c1-3-5-6-7-8-11(9,10)4-2/h9H,3-8H2,1-2H3
InChIKeyPVLFCZRSHNYVPD-UHFFFAOYSA-N
XLogP2.63
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-hexyl-imino-oxo-λ6-sulfane?
The IUPAC name of ethyl-hexyl-imino-oxo-λ6-sulfane (CID 134895845) is ethyl-hexyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-hexyl-imino-oxo-λ6-sulfane?
The canonical SMILES for ethyl-hexyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC)CCCCCC.
What is the InChIKey of ethyl-hexyl-imino-oxo-λ6-sulfane?
The InChIKey is PVLFCZRSHNYVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-5-6-7-8-11(9,10)4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl-hexyl-imino-oxo-λ6-sulfane?
ethyl-hexyl-imino-oxo-λ6-sulfane has a molecular weight of 177.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hexyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 134895845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).