N-ethyl-N-(2-methylpropyl)thiohydroxylamine

C6H15NS — CID 123531669

IUPACN-ethyl-N-(2-methylpropyl)thiohydroxylamine
SMILESCCN(S)CC(C)C
InChIInChI=1S/C6H15NS/c1-4-7(8)5-6(2)3/h6,8H,4-5H2,1-3H3
InChIKeyXSBWTZIZVKVHKP-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.81
Rot. Bonds3

About N-ethyl-N-(2-methylpropyl)thiohydroxylamine

N-ethyl-N-(2-methylpropyl)thiohydroxylamine (PubChem CID 123531669) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)thiohydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)thiohydroxylamine
PubChem CID123531669
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameN-ethyl-N-(2-methylpropyl)thiohydroxylamine
SMILESCCN(S)CC(C)C
InChIInChI=1S/C6H15NS/c1-4-7(8)5-6(2)3/h6,8H,4-5H2,1-3H3
InChIKeyXSBWTZIZVKVHKP-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)thiohydroxylamine?
The IUPAC name of N-ethyl-N-(2-methylpropyl)thiohydroxylamine (CID 123531669) is N-ethyl-N-(2-methylpropyl)thiohydroxylamine.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)thiohydroxylamine?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)thiohydroxylamine is CCN(S)CC(C)C.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)thiohydroxylamine?
The InChIKey is XSBWTZIZVKVHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-7(8)5-6(2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)thiohydroxylamine?
N-ethyl-N-(2-methylpropyl)thiohydroxylamine has a molecular weight of 133.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)thiohydroxylamine is sourced from PubChem (CID 123531669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).