hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane

C6H15NOS — CID 163475269

IUPAChydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane
SMILES[H]N=S(=C)(O)CCC(C)C
InChIInChI=1S/C6H15NOS/c1-6(2)4-5-9(3,7)8/h6H,3-5H2,1-2H3,(H2,7,8)
InChIKeyBZWIXSFYLQJHSX-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.85
Rot. Bonds3

About hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane

hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane (PubChem CID 163475269) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane
PubChem CID163475269
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Namehydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane
SMILES[H]N=S(=C)(O)CCC(C)C
InChIInChI=1S/C6H15NOS/c1-6(2)4-5-9(3,7)8/h6H,3-5H2,1-2H3,(H2,7,8)
InChIKeyBZWIXSFYLQJHSX-UHFFFAOYSA-N
XLogP1.85
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane?
The IUPAC name of hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane (CID 163475269) is hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane?
The canonical SMILES for hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane is [H]N=S(=C)(O)CCC(C)C.
What is the InChIKey of hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane?
The InChIKey is BZWIXSFYLQJHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(2)4-5-9(3,7)8/h6H,3-5H2,1-2H3,(H2,7,8).
What are the key properties of hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane?
hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane has a molecular weight of 149.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane is sourced from PubChem (CID 163475269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).