N-(2-methylpropyl)thiohydroxylamine

C4H11NS — CID 89379721

IUPACN-(2-methylpropyl)thiohydroxylamine
SMILESCC(C)CNS
InChIInChI=1S/C4H11NS/c1-4(2)3-5-6/h4-6H,3H2,1-2H3
InChIKeyVPQBOOMBJCRDIY-UHFFFAOYSA-N
MW105.21 g/mol
LogP1.08
Rot. Bonds2

About N-(2-methylpropyl)thiohydroxylamine

N-(2-methylpropyl)thiohydroxylamine (PubChem CID 89379721) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is N-(2-methylpropyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-methylpropyl)thiohydroxylamine
PubChem CID89379721
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC NameN-(2-methylpropyl)thiohydroxylamine
SMILESCC(C)CNS
InChIInChI=1S/C4H11NS/c1-4(2)3-5-6/h4-6H,3H2,1-2H3
InChIKeyVPQBOOMBJCRDIY-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-(2-methylpropyl)thiohydroxylamine?
The IUPAC name of N-(2-methylpropyl)thiohydroxylamine (CID 89379721) is N-(2-methylpropyl)thiohydroxylamine.
What is the SMILES notation for N-(2-methylpropyl)thiohydroxylamine?
The canonical SMILES for N-(2-methylpropyl)thiohydroxylamine is CC(C)CNS.
What is the InChIKey of N-(2-methylpropyl)thiohydroxylamine?
The InChIKey is VPQBOOMBJCRDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(2)3-5-6/h4-6H,3H2,1-2H3.
What are the key properties of N-(2-methylpropyl)thiohydroxylamine?
N-(2-methylpropyl)thiohydroxylamine has a molecular weight of 105.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)thiohydroxylamine is sourced from PubChem (CID 89379721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).